Geometry & MOs

Info

ID:	389016
PubChem CID:	134990915
Reduced:	IN2O6H13C18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	398.96037
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	7.86
IP(EA), eV:	-9.05(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-4-(4-methoxyphenoxy)-5-nitrobenzaldehyde

Drug info:

PubChemData

Smile

CC1=N/C(=C/C2=CC(=C(C(=C2)I)OC3=CC=C(C=C3)OC)[N+](=O)[O-])/C(=O)O1

DOS

IR

Vibrations