Geometry & MOs

Info

ID:	272020
PubChem CID:	103717446
Reduced:	ClON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	302.124212
ΔH_f, kcal/mol:	14.55
Dipole, Da:	4.06
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C2C(=O)NC3=C(N=CC=C3)Cl

DOS

IR

Vibrations