Geometry & MOs

Info

ID:	328982
PubChem CID:	126729942
Reduced:	N5C6H11 (1)
Stoich.:	A5B6C11 (1)
Weight, g/mol:	997.414447
ΔH_f, kcal/mol:	40.88
Dipole, Da:	2.37
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=N1)NCCN

DOS

IR

Vibrations