Geometry & MOs

Info

ID:	230189
PubChem CID:	87570383
Reduced:	O2Cl3N3C15H16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	241.9918
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	4.82
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-bromo-5,5,6-trifluoroocta-1,6-diene

Drug info:

PubChemData

Smile

CCCC1=C(C(=C(C=C1Cl)Cl)OCCNC(=O)N2C=CN=C2)Cl

DOS

IR

Vibrations