Geometry & MOs

Info

ID:	50531
PubChem CID:	12013076
Reduced:	BrN3C8H14 (1)
Stoich.:	AB3C8D14 (1)
Weight, g/mol:	152.118772
ΔH_f, kcal/mol:	99.05
Dipole, Da:	10.21
IP(EA), eV:	-8.21(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-cyanoethylamino)-dimethyl-prop-2-ynylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations