Geometry & MOs

Info

ID:	76249
PubChem CID:	48424665
Reduced:	ClNO4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	321.149557
ΔH_f, kcal/mol:	-152.61
Dipole, Da:	6.17
IP(EA), eV:	-8.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)OCC2CCCO2)OCC3CC3

DOS

IR

Vibrations