Geometry & MOs

Info

ID:	182441
PubChem CID:	76890521
Reduced:	FOCl2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	304.134241
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	5.93
IP(EA), eV:	-9.3(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(=C2C=CC3=NC(=O)NC3=C2)Cl)F

DOS

IR

Vibrations