Geometry & MOs

Info

ID:

329024

PubChem CID:

126730594

Reduced:

N2H24C31 (2)

Stoich.:

A2B24C31 (2)

Weight, g/mol:

834.372247

ΔHf, kcal/mol:

240.88

Dipole, Da:

2.11

IP(EA), eV:

 -7.78(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=C(C=C(C(=C4)C)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C16)C)C1=CC=CC(=C1)C

DOS

IR

Vibrations