Geometry & MOs

Info

ID:	342957
PubChem CID:	127266120
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	330.113506
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	3.36
IP(EA), eV:	-9.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CCNC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)C3=CC(=O)N(C=C3)C

DOS

IR

Vibrations