Geometry & MOs

Info

ID:	4154
PubChem CID:	10866
Reduced:	BrNOC22H40 (1)
Stoich.:	ABCD22E40 (1)
Weight, g/mol:	413.22933
ΔH_f, kcal/mol:	-80.51
Dipole, Da:	11.68
IP(EA), eV:	-7.97(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl-dimethyl-(2-phenoxyethyl)azanium;bromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-]

DOS

IR

Vibrations