Geometry & MOs

Info

ID:	132221
PubChem CID:	51323808
Reduced:	ClN2O5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-76.02
Dipole, Da:	4.83
IP(EA), eV:	-9.06(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-fluoro-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations