Geometry & MOs

Info

ID:	442104
PubChem CID:	135249821
Reduced:	SN3H31C42 (1)
Stoich.:	AB3C31D42 (1)
Weight, g/mol:	602.268176
ΔH_f, kcal/mol:	174.99
Dipole, Da:	3.99
IP(EA), eV:	-8.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[10-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]-2-phenylanthracen-9-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(CSC(=N1)C2=CN=CC(=C2)C3=CC4=C(C5=C(N4C6=CC=CC=C6)C=C(C=C5)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C93)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(CSC(=N1)C2=CN=CC(=C2)C3=CC4=C(C5=C(N4C6=CC=CC=C6)C=C(C=C5)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C93)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):