Geometry & MOs

Info

ID:	5642
PubChem CID:	13429
Reduced:	BrClNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	272.99199
ΔH_f, kcal/mol:	41.04
Dipole, Da:	3.06
IP(EA), eV:	-9.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)methyl-methyl-prop-2-ynylazanium;chloride

Drug info:

PubChemData

Smile

C[NH+](CC#C)CC1=CC=CC=C1Br.[Cl-]

DOS

IR

Vibrations