Geometry & MOs

Info

ID:	195569
PubChem CID:	78702407
Reduced:	N2S2C16H17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	361.158589
ΔH_f, kcal/mol:	92.87
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.071600
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(2-methoxyphenoxy)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC2=NC3=CC=CC=C3S2)C4=CC=CS4

DOS

IR

Vibrations