Geometry & MOs

Info

ID:	339234
PubChem CID:	127260613
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	4.54
IP(EA), eV:	-10.2(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-hydroxycyclohexyl)-3-methylpentanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC#C)C1(CCCCC1)O

DOS

IR

Vibrations