Geometry & MOs

Info

ID:	3014
PubChem CID:	9045
Reduced:	ON2C14H22 (2)
Stoich.:	AB2C14D22 (2)
Weight, g/mol:	468.346427
ΔH_f, kcal/mol:	32.37
Dipole, Da:	8.77
IP(EA), eV:	-5.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

benzyl-[2-[[2-[2-[benzyl(diethyl)azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations