Geometry & MOs

Info

ID:	275736
PubChem CID:	103817332
Reduced:	F2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	6.1
IP(EA), eV:	-10.3(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methyl-N-(3-methylpentan-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(CC)NC(=O)C1=CC(=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations