Geometry & MOs

Info

ID:	88740
PubChem CID:	49956421
Reduced:	ClN3O4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	484.180323
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750094
Charge, e:	-1

Chem-info

IUPAC name:

5-[[4-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(COC3=CC=C(C=C3)CNCC4=CC=C(C=C4)OC)O)N(C1=O)C.[Cl-]

DOS

IR

Vibrations