Geometry & MOs

Info

ID:	445179
PubChem CID:	135264786
Reduced:	OF2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	753.289246
ΔH_f, kcal/mol:	-11.96
Dipole, Da:	6.35
IP(EA), eV:	-9.24(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[6-methyl-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)/C(=C/N(CC(F)F)N=C)/C

DOS

IR

Vibrations