Geometry & MOs

Info

ID:	241780
PubChem CID:	96024243
Reduced:	ClNC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	3.88
IP(EA), eV:	-8.82(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CCCCCl

DOS

IR

Vibrations