Geometry & MOs

Info

ID:	300195
PubChem CID:	121264388
Reduced:	FON4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	445.01516
ΔH_f, kcal/mol:	-20.27
Dipole, Da:	5.55
IP(EA), eV:	-9.29(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)pyridin-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)N)F)N=CN=CN

DOS

IR

Vibrations