Geometry & MOs

Info

ID:	218078
PubChem CID:	85088826
Reduced:	NCl2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	426.129023
ΔH_f, kcal/mol:	-156.22
Dipole, Da:	2.56
IP(EA), eV:	-9.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-9-methoxy-7-propan-2-yloxy-3-prop-1-enyl-1-(trifluoromethyl)-3,4-dihydrobenzo[g]isochromene-5,10-dione

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)C(=O)N1CCC(C1C(=O)OCC=C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations