Geometry & MOs

Info

ID:	182467
PubChem CID:	76890986
Reduced:	FOBr2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	294.03678
ΔH_f, kcal/mol:	20.04
Dipole, Da:	5.41
IP(EA), eV:	-9.39(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)C(=C2C=CC3=NC(=O)NC3=C2)Br

DOS

IR

Vibrations