Geometry & MOs

Info

ID:	226196
PubChem CID:	87349955
Reduced:	BrOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	243.886857
ΔH_f, kcal/mol:	-37.94
Dipole, Da:	5.75
IP(EA), eV:	-10.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

buta-1,3-diene;dichlorotin

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C(=O)Br

DOS

IR

Vibrations