Geometry & MOs

Info

ID:	324138
PubChem CID:	126677004
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	1.19
IP(EA), eV:	-8.53(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCN1CC2=CC=C(C=C2)OC)C3CCNCC3

DOS

IR

Vibrations