Geometry & MOs

Info

ID:	285885
PubChem CID:	104135562
Reduced:	ClON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	4.81
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-methylpyridin-4-yl)-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CN(CCN1C)C(=O)C2=CC(=NC(=C2)Cl)CC

DOS

IR

Vibrations