Geometry & MOs

Info

ID:	324315
PubChem CID:	126677417
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	470.256943
ΔH_f, kcal/mol:	45.76
Dipole, Da:	4.34
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R,3S,4R)-4-(4-methoxyphenyl)-2-methyl-1-(2-phenylethyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2/C=C/C3=CC(=CC=C3)C#N

DOS

IR

Vibrations