Geometry & MOs

Info

ID:	423594
PubChem CID:	135119794
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	48.27
Dipole, Da:	5.25
IP(EA), eV:	-9.18(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)CN(CCO)CC4=NC=CN4

DOS

IR

Vibrations