Geometry & MOs

Info

ID:	182827
PubChem CID:	76941991
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	332.01604
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	6.59
IP(EA), eV:	-9.79(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-[hydroxy-(3-methylphenyl)methyl]-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC3=NC(=O)NC3=CC2Br)O

DOS

IR

Vibrations