Geometry & MOs

Info

ID:	340364
PubChem CID:	127262375
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-177.95
Dipole, Da:	4.37
IP(EA), eV:	-9.01(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxybutyl 2-cyclohexylacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)OC(COC2=CC=CC=C2)O

DOS

IR

Vibrations