Geometry & MOs

Info

ID:	24171
PubChem CID:	608257
Reduced:	O3H12C14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	3.54
IP(EA), eV:	-9.94(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dioxonaphthalen-2-yl)-2-methylpropanal

Drug info:

PubChemData

Smile

CC(C)(C=O)C1=CC(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations