Geometry & MOs

Info

ID:	374481
PubChem CID:	131330209
Reduced:	BrN2O3C7H9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	334.921
ΔH_f, kcal/mol:	-108.31
Dipole, Da:	1.14
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(N(C1=O)C)Br)C(=O)OC

DOS

IR

Vibrations