Geometry & MOs

Info

ID:	11269
PubChem CID:	112724
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-127.81
Dipole, Da:	2.07
IP(EA), eV:	-10.58(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexyl) propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CCC(CC1)C

DOS

IR

Vibrations