Geometry & MOs

Info

ID:	225044
PubChem CID:	85735836
Reduced:	BrIC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	403.96366
ΔH_f, kcal/mol:	60.12
Dipole, Da:	0.77
IP(EA), eV:	-9.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-bromo-3-(2-iodoethyl)hept-1-yn-3-yl]benzene

Drug info:

PubChemData

Smile

C#CC(CCCBr)(CCI)C1=CC=CC=C1

DOS

IR

Vibrations