Geometry & MOs

Info

ID:	50533
PubChem CID:	12013078
Reduced:	Br2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	230.02929
ΔH_f, kcal/mol:	92.36
Dipole, Da:	11.25
IP(EA), eV:	-8.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-bromoprop-2-ynyl-(2-cyanoethylamino)-dimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(CC#CBr)NCCC#N.[Br-]

DOS

IR

Vibrations