Geometry & MOs

Info

ID:	131319
PubChem CID:	51190142
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	346.098728
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	6.17
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-nitrophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=CC=C3)NC(=O)C4CC4

DOS

IR

Vibrations