Geometry & MOs

Info

ID:	243338
PubChem CID:	99218640
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	379.155927
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	3.38
IP(EA), eV:	-8.12(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations