Geometry & MOs

Info

ID:	126751
PubChem CID:	50976674
Reduced:	N2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	393.124405
ΔH_f, kcal/mol:	80.62
Dipole, Da:	3.1
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=NC2=CC=CC=C2C=C1)CC3=CN(N=C3)C

DOS

IR

Vibrations