Geometry & MOs

Info

ID:	20029
PubChem CID:	577171
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	1.99
IP(EA), eV:	-9.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 3-methylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations