Geometry & MOs

Info

ID:	88739
PubChem CID:	49956420
Reduced:	ClN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	482.184659
ΔH_f, kcal/mol:	-50.29
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

5-[1-hydroxy-2-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethyl]-1,3-dimethylbenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CCC(C)NCC1=CC(=C(C=C1)OCC2=CC3=C(C=C2)N(C(=O)N3C)C)OC.[Cl-]

DOS

IR

Vibrations