Geometry & MOs

Info

ID:	234569
PubChem CID:	92298713
Reduced:	ClN2O2F3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-220.1
Dipole, Da:	9.03
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-hydroxy-4-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)Cl

DOS

IR

Vibrations