Geometry & MOs

Info

ID:	285847
PubChem CID:	104133977
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-15.02
Dipole, Da:	5.01
IP(EA), eV:	-9.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(C)CC2CC2)Cl

DOS

IR

Vibrations