Geometry & MOs

Info

ID:	381965
PubChem CID:	134972847
Reduced:	PO3H21C28 (1)
Stoich.:	AB3C21D28 (1)
Weight, g/mol:	318.055991
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	8.53
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(6-chloropyridine-3-carbonyl)phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C(=O)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O2

DOS

IR

Vibrations