Geometry & MOs

Info

ID:	381795
PubChem CID:	134972625
Reduced:	ClO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-164.55
Dipole, Da:	4.5
IP(EA), eV:	-8.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6a,10-trimethyl-2,3,4,7-tetrahydrobenzo[h]chromene-6,8-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CCCCC2=C(C(=C1O)CCCCl)C

DOS

IR

Vibrations