Geometry & MOs

Info

ID:	408443
PubChem CID:	135081209
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-168.98
Dipole, Da:	3.38
IP(EA), eV:	-10.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-6-propoxycarbonylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C=CCC[C@H]([C@@H](C(=O)CO)O)O

DOS

IR

Vibrations