Geometry & MOs

Info

ID:	329015
PubChem CID:	126730487
Reduced:	N4H32C47 (1)
Stoich.:	A4B32C47 (1)
Weight, g/mol:	680.293997
ΔH_f, kcal/mol:	225.86
Dipole, Da:	1.17
IP(EA), eV:	-8.04(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-3-carbazol-9-ylcarbazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=CC(=N2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C94)C1=CC=CC=C1

DOS

IR

Vibrations