Geometry & MOs

Info

ID:	324316
PubChem CID:	126677418
Reduced:	N2O3C30H34 (1)
Stoich.:	A2B3C30D34 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	1.9
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](CCN1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC)COC4=CC5=C(CNC5=O)C=C4

DOS

IR

Vibrations