Geometry & MOs

Info

ID:	12317
PubChem CID:	134707
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	3.63
IP(EA), eV:	-10.18(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC=C(C12CC[C@H](C2)C(C)(C)O)C(=O)O

DOS

IR

Vibrations