Geometry & MOs

Info

ID:	382077
PubChem CID:	134972999
Reduced:	OH16C22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	337.168936
ΔH_f, kcal/mol:	40.56
Dipole, Da:	0.75
IP(EA), eV:	-8.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(5-fluoro-2-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1C2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54

DOS

IR

Vibrations