Geometry & MOs

Info

ID:	291476
PubChem CID:	112695692
Reduced:	ClFON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	255.101919
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	2.44
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminopropyl)-4-fluoro-N-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)NC(=O)C2=C(C(=CC=C2)F)Cl

DOS

IR

Vibrations