Geometry & MOs

Info

ID:	285832
PubChem CID:	104133944
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	302.118591
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	4.21
IP(EA), eV:	-9.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3-methylphenyl)methyl]-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)NCCC2=CN=CC=C2)Cl

DOS

IR

Vibrations