Geometry & MOs

Info

ID:	271128
PubChem CID:	103644439
Reduced:	FO3N4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	279.076767
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	6.41
IP(EA), eV:	-9.12(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-fluoro-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=C(C(=CC(=C2)F)[N+](=O)[O-])N

DOS

IR

Vibrations