Geometry & MOs

Info

ID:	221430
PubChem CID:	85273688
Reduced:	N2O4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	308.125988
ΔH_f, kcal/mol:	6.12
Dipole, Da:	5.92
IP(EA), eV:	-8.97(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9-dihydroxy-3,7-dimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C1=CC(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations