Geometry & MOs

Info

ID:	393440
PubChem CID:	135020599
Reduced:	NO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	470.172939
ΔH_f, kcal/mol:	-36.17
Dipole, Da:	5.77
IP(EA), eV:	-9.36(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-6-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-3-(3,4,5-trimethoxyphenyl)chromen-2-one

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=CC=CC=C1)\NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations