Geometry & MOs

Info

ID:	412767
PubChem CID:	135085694
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	-41.0
Dipole, Da:	3.03
IP(EA), eV:	-9.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-but-2-en-2-yl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CCC1=N[C@H](COC1=O)C2=CC=CC=C2

DOS

IR

Vibrations