Geometry & MOs

Info

ID:	11238
PubChem CID:	112238
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	61.02
Dipole, Da:	4.86
IP(EA), eV:	-8.53(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-ethylaniline;acetate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC=[N+](N3C)C.CC(=O)[O-]

DOS

IR

Vibrations