Geometry & MOs

Info

ID:	27978
PubChem CID:	824500
Reduced:	OC2H2 (5)
Stoich.:	AB2C2 (5)
Weight, g/mol:	212.068473
ΔH_f, kcal/mol:	-160.29
Dipole, Da:	4.51
IP(EA), eV:	-10.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S,7S,8S)-4-oxo-3,11-dioxatricyclo[6.2.1.01,6]undecane-7-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@]12C=C[C@H](O1)[C@H]3[C@@H]2C(=O)OC3

DOS

IR

Vibrations