Geometry & MOs

Info

ID:	339233
PubChem CID:	127260612
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-160.71
Dipole, Da:	3.35
IP(EA), eV:	-10.02(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations