Geometry & MOs

Info

ID:	432782
PubChem CID:	135172919
Reduced:	O2N6C21H27 (1)
Stoich.:	A2B6C21D27 (1)
Weight, g/mol:	416.115724
ΔH_f, kcal/mol:	28.64
Dipole, Da:	6.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.355396
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-4-[[2-chloro-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]diazenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)NC3=CC=C(C=C3)N(CCO)CCO)C

DOS

IR

Vibrations