Geometry & MOs

Info

ID:	88572
PubChem CID:	49955440
Reduced:	NCl2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	388.061957
ΔH_f, kcal/mol:	-40.68
Dipole, Da:	14.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005680
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)Cl)C(=O)O.[Cl-]

DOS

IR

Vibrations