Geometry & MOs

Info

ID:	182464
PubChem CID:	76890983
Reduced:	BrClFON2H7C14 (1)
Stoich.:	ABCDE2F7G14 (1)
Weight, g/mol:	280.02113
ΔH_f, kcal/mol:	7.83
Dipole, Da:	4.88
IP(EA), eV:	-9.41(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-bromo-2-methylbutylidene)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)C(=C2C=CC3=NC(=O)NC3=C2)Br

DOS

IR

Vibrations