Geometry & MOs

Info

ID:	293066
PubChem CID:	117373234
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-147.09
Dipole, Da:	3.94
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-formyl-5-hydroxyphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C3C(=CC=C2)OCCO3)C(=O)O

DOS

IR

Vibrations