Geometry & MOs

Info

ID:	374946
PubChem CID:	131407685
Reduced:	ClO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	284.00481
ΔH_f, kcal/mol:	-105.09
Dipole, Da:	3.02
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-bromo-2-oxopropyl)-2-ethoxybenzaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)C(C(=O)C)Cl

DOS

IR

Vibrations