Geometry & MOs

Info

ID:	342595
PubChem CID:	127265755
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	3.55
IP(EA), eV:	-9.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C=CC(=O)N2CCCC2CO)C

DOS

IR

Vibrations