Geometry & MOs

Info

ID:	75879
PubChem CID:	48424106
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	307.133907
ΔH_f, kcal/mol:	-55.72
Dipole, Da:	4.09
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)CC2=CC=NC=C2)OCC3CC3

DOS

IR

Vibrations