Geometry & MOs

Info

ID:	432906
PubChem CID:	135173043
Reduced:	Cl2N7C19H24 (1)
Stoich.:	A2B7C19D24 (1)
Weight, g/mol:	336.206245
ΔH_f, kcal/mol:	127.2
Dipole, Da:	10.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001241
Charge, e:	0

Chem-info

IUPAC name:

N,N,N'-trimethyl-N'-[4-[(1-methylbenzimidazol-2-yl)diazenyl]phenyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN1C=C[N+](=C1NNC2=CC(=C(C=C2)NNC3=CC(=C(C=C3)N(C)C)Cl)Cl)C

DOS

IR

Vibrations