Geometry & MOs

Info

ID:	388517
PubChem CID:	134989373
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	1.68
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,7aS)-7a-methyl-7-methylidene-5-prop-1-en-2-yl-3a,4,5,6-tetrahydro-1,3-benzodioxol-2-one

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)/N=N/C(=O)OC1=CC=CC=C1

DOS

IR

Vibrations