Geometry & MOs

Info

ID:	285800
PubChem CID:	104133541
Reduced:	ClON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	5.42
Dipole, Da:	2.12
IP(EA), eV:	-10.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-propyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NCC2=CN=CC=C2)Cl

DOS

IR

Vibrations