Geometry & MOs

Info

ID:	84887
PubChem CID:	49870567
Reduced:	BrNC54H96 (1)
Stoich.:	ABC54D96 (1)
Weight, g/mol:	758.754277
ΔH_f, kcal/mol:	64.31
Dipole, Da:	57.4
IP(EA), eV:	-4.73(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-bis(pentacosa-10,12-diynyl)azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCC[N+](CC)(CC)CCCCCCCCCC#CC#CCCCCCCCCCCCC.[Br-]

DOS

IR

Vibrations