Geometry & MOs

Info

ID:	202563
PubChem CID:	79687817
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	253.086269
ΔH_f, kcal/mol:	37.35
Dipole, Da:	5.3
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-nitro-N-[(3S)-pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCCN1C2=C(C=CC(=C2)C#N)C

DOS

IR

Vibrations