Geometry & MOs

Info

ID:	88550
PubChem CID:	49955392
Reduced:	ClON3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	360.148367
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	4.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750208
Charge, e:	-2

Chem-info

IUPAC name:

5-[[2-(diethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one;dichloride

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CNC3CCCCC3)N(C1=O)C.[Cl-]

DOS

IR

Vibrations