Geometry & MOs

Info

ID:	406589
PubChem CID:	135078110
Reduced:	OWH14C18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	532.01239
ΔH_f, kcal/mol:	259.89
Dipole, Da:	7.46
IP(EA), eV:	-6.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,3-bis(iodomethyl)-5-(4-methylphenyl)pentyl]-4-methylbenzene

Drug info:

PubChemData

Smile

COC(=[W])C#CC1=CC=CC=C1/C=C/C2=CC=CC=C2

DOS

IR

Vibrations