Geometry & MOs

Info

ID:	407945
PubChem CID:	135080700
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-167.78
Dipole, Da:	2.41
IP(EA), eV:	-10.24(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations