Geometry & MOs

Info

ID:	266884
PubChem CID:	103579871
Reduced:	FCl2N2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	283.057947
ΔH_f, kcal/mol:	-13.16
Dipole, Da:	5.55
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations