Geometry & MOs

Info

ID:	432006
PubChem CID:	135172134
Reduced:	O2F3N5C21H30 (1)
Stoich.:	A2B3C5D21E30 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-206.42
Dipole, Da:	4.89
IP(EA), eV:	-8.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-nitrophenyl]-N-oxopyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NNC(=N2)C(F)(F)F

DOS

IR

Vibrations