Geometry & MOs

Info

ID:	329346
PubChem CID:	126735054
Reduced:	O3N4C10H12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	713.232794
ΔH_f, kcal/mol:	20.83
Dipole, Da:	6.74
IP(EA), eV:	-9.33(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzonitrile

Drug info:

PubChemData

Smile

CNC(=O)NCCC1=CC(=C(C=C1)N=O)N=O

DOS

IR

Vibrations