Geometry & MOs

Info

ID:	318299
PubChem CID:	126650393
Reduced:	ON2F3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-170.34
Dipole, Da:	5.41
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3R,4S)-4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)N

DOS

IR

Vibrations