Geometry & MOs

Info

ID:	393121
PubChem CID:	135019461
Reduced:	PN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	4.35
IP(EA), eV:	-8.46(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-5,5-dimethoxy-2-methyl-1,3,3a,7a-tetrahydroisoindol-4-one

Drug info:

PubChemData

Smile

COP(=O)(C(C1=CNC2=CC=CC=C21)NCC3=CC=CC=C3)OC

DOS

IR

Vibrations