Geometry & MOs

Info

ID:	386728
PubChem CID:	134982704
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	313.095023
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	3.19
IP(EA), eV:	-9.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(C2=CC=CC=C21)(C)O)C(=O)OCC

DOS

IR

Vibrations