Geometry & MOs

Info

ID:	199013
PubChem CID:	79187757
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-137.6
Dipole, Da:	4.28
IP(EA), eV:	-9.45(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)C2=C(C(=CC(=C2)CO)C)C

DOS

IR

Vibrations