Geometry & MOs

Info

ID:	385522
PubChem CID:	134979302
Reduced:	H9C13 (2)
Stoich.:	A9B13 (2)
Weight, g/mol:	286.02185
ΔH_f, kcal/mol:	128.88
Dipole, Da:	0.41
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-iodo-4-methylpent-1-en-2-yl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C([C@H]3[C@@H]2C4=CC=CC5=C4C3=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations