Geometry & MOs

Info

ID:	9079
PubChem CID:	85844
Reduced:	O3H6C10 (1)
Stoich.:	A3B6C10 (1)
Weight, g/mol:	174.031694
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	2.24
IP(EA), eV:	-10.54(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3C(C2=O)O3

DOS

IR

Vibrations