Geometry & MOs

Info

ID:	64217
PubChem CID:	29198539
Reduced:	FSN4O4C20H21 (1)
Stoich.:	ABC4D4E20F21 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	7.98
IP(EA), eV:	-8.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-5-nitro-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)F

DOS

IR

Vibrations