Geometry & MOs

Info

ID:	252270
PubChem CID:	103110183
Reduced:	ClON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-1.01
Dipole, Da:	2.86
IP(EA), eV:	-8.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-2-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations