Geometry & MOs

Info

ID:	88544
PubChem CID:	49955376
Reduced:	ClON3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	369.148214
ΔH_f, kcal/mol:	40.59
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750933
Charge, e:	-1

Chem-info

IUPAC name:

5-[[2-(1H-indol-3-yl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CNCC3=CC=CC=C3)N(C1=O)C.[Cl-]

DOS

IR

Vibrations