Geometry & MOs

Info

ID:	24098
PubChem CID:	607845
Reduced:	O4H10C13 (1)
Stoich.:	A4B10C13 (1)
Weight, g/mol:	230.057909
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	3.55
IP(EA), eV:	-10.51(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-1,4-dioxonaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations