Geometry & MOs

Info

ID:	120864
PubChem CID:	50747193
Reduced:	OF2N2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-101.35
Dipole, Da:	5.08
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCCN2C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations