Geometry & MOs

Info

ID:	8642
PubChem CID:	79821
Reduced:	ClH15C16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	242.086228
ΔH_f, kcal/mol:	41.27
Dipole, Da:	2.05
IP(EA), eV:	-9.32(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-phenylbut-1-enyl)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CCCCl)C2=CC=CC=C2

DOS

IR

Vibrations