Geometry & MOs

Info

ID:	8776
PubChem CID:	81376
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-190.38
Dipole, Da:	3.64
IP(EA), eV:	-10.46(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 2-(1-hydroxycyclohexyl)acetate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)CC1(CCCCC1)O

DOS

IR

Vibrations