Geometry & MOs

Info

ID:	135591
PubChem CID:	51897824
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	283.137242
ΔH_f, kcal/mol:	7.91
Dipole, Da:	2.39
IP(EA), eV:	-9.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]1C2=CC=CC=C2)C(=O)C3=CC=NO3

DOS

IR

Vibrations