Geometry & MOs

Info

ID:	272183
PubChem CID:	103734009
Reduced:	OSN2F4C8H8 (1)
Stoich.:	ABC2D4E8F8 (1)
Weight, g/mol:	299.103669
ΔH_f, kcal/mol:	-214.54
Dipole, Da:	5.92
IP(EA), eV:	-9.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-methylhexan-2-yl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNC(=O)C(C(F)F)(F)F

DOS

IR

Vibrations