Geometry & MOs

Info

ID:	386754
PubChem CID:	134982808
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	373.116152
ΔH_f, kcal/mol:	-71.97
Dipole, Da:	1.67
IP(EA), eV:	-7.98(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxy-3-nitrophenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1C2=C(C=CC(=C2)OC)C(=C1OC)CCCC=C

DOS

IR

Vibrations