Geometry & MOs

Info

ID:	30307
PubChem CID:	841114
Reduced:	ClN2O5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	302.97563
ΔH_f, kcal/mol:	-83.93
Dipole, Da:	8.17
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-iodo-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations