Geometry & MOs

Info

ID:	448780
PubChem CID:	135293554
Reduced:	BrClN3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	284.096106
ΔH_f, kcal/mol:	27.0
Dipole, Da:	3.92
IP(EA), eV:	-8.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[5-(2-methyl-1,3-dioxolan-2-yl)pyridin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=CN=C2Cl)Br

DOS

IR

Vibrations