Geometry & MOs

Info

ID:	270470
PubChem CID:	103636716
Reduced:	FO3N5C12H12 (1)
Stoich.:	AB3C5D12E12 (1)
Weight, g/mol:	294.112819
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	4.0
IP(EA), eV:	-10.17(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-cyanopropyl)-N-ethyl-5-fluoro-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C2=C(C=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations