Geometry & MOs

Info

ID:	88563
PubChem CID:	49955425
Reduced:	ClON3C22H31 (1)
Stoich.:	ABC3D22E31 (1)
Weight, g/mol:	306.10093
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.831376
Charge, e:	-1

Chem-info

IUPAC name:

5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC5=C(C=C4)N(C(=O)N5C)C)C.[Cl-]

DOS

IR

Vibrations