Geometry & MOs

Info

ID:	378062
PubChem CID:	134224131
Reduced:	BrH33C34 (1)
Stoich.:	AB33C34 (1)
Weight, g/mol:	953.470899
ΔH_f, kcal/mol:	56.52
Dipole, Da:	2.29
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butylpyridin-2-yl)phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

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=C(C=CC(=C1)C2=CC(=C(C=C2)Br)C)C3=CC=C(C=C3)C45CCC(CC4)(CC5)C6=CC=CC=C6

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=C(C=CC(=C1)C2=CC(=C(C=C2)Br)C)C3=CC=C(C=C3)C45CCC(CC4)(CC5)C6=CC=CC=C6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):