Geometry & MOs

Info

ID:	285835
PubChem CID:	104133959
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	5.56
IP(EA), eV:	-9.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-cyclohexylethyl)-6-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NCCC2CCCCC2)Cl

DOS

IR

Vibrations