Geometry & MOs

Info

ID:	285731
PubChem CID:	104122675
Reduced:	ClO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	3.75
IP(EA), eV:	-9.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1CCN(CC1)C(=O)C2=CC(=NC(=C2)C)Cl

DOS

IR

Vibrations