Geometry & MOs

Info

ID:	83750
PubChem CID:	49860918
Reduced:	ClN4C12H15 (2)
Stoich.:	AB4C12D15 (2)
Weight, g/mol:	498.181398
ΔH_f, kcal/mol:	91.96
Dipole, Da:	0.82
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[10-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine;dihydrochloride

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(C2=CC=CC=C2C(C3=CC=CC=C13)(/C=N/NC4=NCCN4)C)/C=N/NC5=NCCN5.Cl.Cl

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(C2=CC=CC=C2C(C3=CC=CC=C13)(/C=N/NC4=NCCN4)C)/C=N/NC5=NCCN5.Cl.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):