Geometry & MOs

Info

ID:	288519
PubChem CID:	104318424
Reduced:	SO2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	2.43
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCSC1=CC=C(C=C1)CO)O

DOS

IR

Vibrations