Geometry & MOs

Info

ID:	143488
PubChem CID:	53216419
Reduced:	BClFO3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	245.91955
ΔH_f, kcal/mol:	-193.06
Dipole, Da:	1.68
IP(EA), eV:	-9.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-chloro-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

B(C1=C(C(=C(C=C1)Cl)OCC2=CC=CC=C2)F)(O)O

DOS

IR

Vibrations