Geometry & MOs

Info

ID:	381858
PubChem CID:	134972710
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	7.54
IP(EA), eV:	-9.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7a,11-trimethyl-2,3,5,8-tetrahydrobenzo[i][1,4]benzodioxepine-7,9-dione

Drug info:

PubChemData

Smile

CC1C2=C(C3(C1=O)C(=CC(=O)C=C3C)C)OCCOC2

DOS

IR

Vibrations