Geometry & MOs

Info

ID:	273454
PubChem CID:	103771148
Reduced:	FN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	301.082934
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	1.5
IP(EA), eV:	-10.08(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-hydroxy-4-methylpentyl)-3-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CN=C(C=C1)F)O

DOS

IR

Vibrations