Geometry & MOs

Info

ID:	11171
PubChem CID:	111553
Reduced:	ClON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	296.165541
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	10.16
IP(EA), eV:	-8.5(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[2-(2-cyanoethoxy)ethyl]-diethylazanium;chloride

Drug info:

PubChemData

Smile

CC[N+](CC)(CCOCCC#N)CC1=CC=CC=C1.[Cl-]

DOS

IR

Vibrations