Geometry & MOs

Info

ID:	1258
PubChem CID:	4055
Reduced:	O2H8C11 (1)
Stoich.:	A2B8C11 (1)
Weight, g/mol:	172.052429
ΔH_f, kcal/mol:	-29.81
Dipole, Da:	1.34
IP(EA), eV:	-10.33(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylnaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations