Geometry & MOs

Info

ID:

88573

PubChem CID:

49955453

Reduced:

Cl2O2N3H16C19 (1)

Stoich.:

A2B2C3D16E19 (1)

Weight, g/mol:

374.046307

ΔHf, kcal/mol:

15.77

Dipole, Da:

4.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750058

Charge, e:

 -1

Chem-info

IUPAC name:

5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]-1,3-dihydrobenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)C2=CC=C(O2)CNC3=CC4=C(C=C3)NC(=O)N4.[Cl-]

DOS

IR

Vibrations