Geometry & MOs

Info

ID:	252263
PubChem CID:	103110144
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	4.89
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations