Geometry & MOs

Info

ID:	37893
PubChem CID:	8025353
Reduced:	FNOH18C20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	356.171162
ΔH_f, kcal/mol:	-41.0
Dipole, Da:	3.06
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminopentan-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CC3=CC=CC=C3F

DOS

IR

Vibrations