Geometry & MOs

Info

ID:	303477
PubChem CID:	124489787
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-167.41
Dipole, Da:	2.3
IP(EA), eV:	-9.96(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C[C@@H]2[C@H](C1)O[C@@H]([C@@H]2O)CO)C

DOS

IR

Vibrations