Geometry & MOs

Info

ID:	48074
PubChem CID:	10536983
Reduced:	BrNOC8H16 (1)
Stoich.:	ABCD8E16 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	4.29
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-5-methoxybenzoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)CBr

DOS

IR

Vibrations