Geometry & MOs

Info

ID:	435556
PubChem CID:	135191796
Reduced:	O6H10C17 (1)
Stoich.:	A6B10C17 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-162.48
Dipole, Da:	5.04
IP(EA), eV:	-10.52(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexyl) 4-hydroxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)OC3=O)C=O

DOS

IR

Vibrations