Geometry & MOs

Info

ID:	393406
PubChem CID:	135020470
Reduced:	BrNOF3H7C15 (1)
Stoich.:	ABCD3E7F15 (1)
Weight, g/mol:	243.079647
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	5.7
IP(EA), eV:	-9.16(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(benzimidazol-1-yl)ethynyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)N2C=C(C(=O)C3=C2C=C(C=C3)Br)F

DOS

IR

Vibrations