Geometry & MOs

Info

ID:	291464
PubChem CID:	112397852
Reduced:	IO2N6C20H31 (1)
Stoich.:	AB2C6D20E31 (1)
Weight, g/mol:	366.116877
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	4.58
IP(EA), eV:	-9.31(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenyl)-1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

CCC1=NN=CN1CCNC(=NCC2=CC(=CC=C2)OC)NCC3CCOC3.I

DOS

IR

Vibrations