Geometry & MOs

Info

ID:	12748
PubChem CID:	144901
Reduced:	BrO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	227.97859
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	6.18
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-ethoxybenzaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Br)C=O

DOS

IR

Vibrations