Geometry & MOs

Info

ID:	374482
PubChem CID:	131330259
Reduced:	ClINO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	334.921
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	5.13
IP(EA), eV:	-10.11(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-chloro-4-cyano-5-iodobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C(=C1)I)Cl)C#N

DOS

IR

Vibrations