Geometry & MOs

Info

ID:	22802
PubChem CID:	598763
Reduced:	BrIO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	459.9171
ΔH_f, kcal/mol:	-40.56
Dipole, Da:	1.65
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromophenyl)methoxy]-3-ethoxy-5-iodobenzaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=O)I)OCC2=CC(=CC=C2)Br

DOS

IR

Vibrations