Geometry & MOs

Info

ID:	324310
PubChem CID:	126677410
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-141.32
Dipole, Da:	1.15
IP(EA), eV:	-8.86(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations