Geometry & MOs

Info

ID:	319796
PubChem CID:	126657321
Reduced:	OSN3C16H29 (1)
Stoich.:	ABC3D16E29 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	4.3
IP(EA), eV:	-8.32(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCC[S@@](=O)NC(CCN(C)CC)C1=NC=C(C=C1)C

DOS

IR

Vibrations