Geometry & MOs

Info

ID:	206036
PubChem CID:	80192555
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	289.080636
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	2.46
IP(EA), eV:	-8.72(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,3-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)OC)C(=O)C2=CC=C(N2C)C

DOS

IR

Vibrations