Geometry & MOs

Info

ID:	20030
PubChem CID:	577172
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-111.64
Dipole, Da:	2.96
IP(EA), eV:	-9.69(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 4-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations