Geometry & MOs

Info

ID:

328993

PubChem CID:

126730027

Reduced:

N5H51C73 (1)

Stoich.:

A5B51C73 (1)

Weight, g/mol:

859.367496

ΔHf, kcal/mol:

311.67

Dipole, Da:

3.78

IP(EA), eV:

 -7.78(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3,6-di(carbazol-9-yl)carbazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC(=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations