Geometry & MOs

Info

ID:	401863
PubChem CID:	135053068
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	316.073559
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	5.08
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)benzo[e][1]benzofuran-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC2=CC=CC=C2C=O)OC

DOS

IR

Vibrations