Geometry & MOs

Info

ID:	387756
PubChem CID:	134986746
Reduced:	N4O5C9H18 (1)
Stoich.:	A4B5C9D18 (1)
Weight, g/mol:	214.062994
ΔH_f, kcal/mol:	-117.65
Dipole, Da:	2.68
IP(EA), eV:	-9.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5a,9a-dihydrobenzo[g][1]benzofuran-4,5-dione

Drug info:

PubChemData

Smile

CC(=O)OCO/N=[N+](/N1CCN(CC1)CCO)\[O-]

DOS

IR

Vibrations