Geometry & MOs

Info

ID:	129960
PubChem CID:	51074399
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	324.118653
ΔH_f, kcal/mol:	56.86
Dipole, Da:	7.22
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile

Drug info:

PubChemData

Smile

C#CCNC(=O)C1=CC(=CC=C1)OCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations