Geometry & MOs

Info

ID:	39795
PubChem CID:	8142327
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	342.136828
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	3.79
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations