Geometry & MOs

Info

ID:	120865
PubChem CID:	50747257
Reduced:	FNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-62.73
Dipole, Da:	3.27
IP(EA), eV:	-9.21(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCCN2C(=O)CC3=CC=CC=C3F

DOS

IR

Vibrations