Geometry & MOs

Info

ID:	394833
PubChem CID:	135023909
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	3.37
IP(EA), eV:	-9.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-benzyl-N-cyanobenzamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3)C#N

DOS

IR

Vibrations