Geometry & MOs

Info

ID:	303478
PubChem CID:	124489791
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	4.75
IP(EA), eV:	-9.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,6R)-6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@]2(C=CC=C[C@H]2CC(=O)O)O

DOS

IR

Vibrations