Geometry & MOs

Info

ID:	120857
PubChem CID:	50746968
Reduced:	NSO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	313.147807
ΔH_f, kcal/mol:	-94.89
Dipole, Da:	6.36
IP(EA), eV:	-8.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC=C(C=C3)OC

DOS

IR

Vibrations