Geometry & MOs

Info

ID:	21145
PubChem CID:	587337
Reduced:	ClNBr2O2H4C10 (1)
Stoich.:	ABC2D2E4F10 (1)
Weight, g/mol:	364.82768
ΔH_f, kcal/mol:	3.03
Dipole, Da:	3.68
IP(EA), eV:	-10.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dibromo-1-cyanoethenyl) 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC(=C(Br)Br)C#N)Cl

DOS

IR

Vibrations