Geometry & MOs

Info

ID:	6136
PubChem CID:	67117
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-78.66
Dipole, Da:	1.92
IP(EA), eV:	-9.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C

DOS

IR

Vibrations