Geometry & MOs

Info

ID:	268750
PubChem CID:	103600785
Reduced:	F2N3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	299.067284
ΔH_f, kcal/mol:	-120.24
Dipole, Da:	5.53
IP(EA), eV:	-9.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-chloro-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(F)F

DOS

IR

Vibrations