Geometry & MOs

Info

ID:	6504
PubChem CID:	68776
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	6.62
IP(EA), eV:	-10.01(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC[C@@]([C@H](C1)C(=O)O)(C2=CC=CC=C2)O

DOS

IR

Vibrations