Geometry & MOs

Info

ID:	406485
PubChem CID:	135077805
Reduced:	ClIC16H28 (1)
Stoich.:	ABC16D28 (1)
Weight, g/mol:	340.08266
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	2.59
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,3Z)-4-bromo-3-ethyl-1-phenylhexa-1,3-dien-2-yl]benzene

Drug info:

PubChemData

Smile

CCC/C(=C(\CCC)/Cl)/C(=C(/CCC)\I)/CCC

DOS

IR

Vibrations