Geometry & MOs

Info

ID:	11890
PubChem CID:	122733
Reduced:	O4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	182.057909
ΔH_f, kcal/mol:	-120.01
Dipole, Da:	2.11
IP(EA), eV:	-10.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC12C(C(=C)C(=O)C1(O2)C)C(=O)O

DOS

IR

Vibrations