Geometry & MOs

Info

ID:	25135
PubChem CID:	619398
Reduced:	O3C20H32 (1)
Stoich.:	A3B20C32 (1)
Weight, g/mol:	278.094294
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	6.41
IP(EA), eV:	-9.46(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethoxyphenyl)methylidene]indene-1,3-dione

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)C3(CC(CC(C2)(C3)C)(C)C)OCCO)C

DOS

IR

Vibrations