Geometry & MOs

Info

ID:	324672
PubChem CID:	126678113
Reduced:	ON2H20C30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	104.33
Dipole, Da:	1.95
IP(EA), eV:	-7.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)C6=C(N5)C7=C(C=C6)OC8=CC=CC=C87

DOS

IR

Vibrations