Geometry & MOs

Info

ID:	403361
PubChem CID:	135059863
Reduced:	INO2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	288.05136
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	1.25
IP(EA), eV:	-9.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-deca-1,3-diynylbenzene

Drug info:

PubChemData

Smile

CCCCN(CI)C(=O)OC(C)(C)C

DOS

IR

Vibrations