Geometry & MOs

Info

ID:	320557
PubChem CID:	126661729
Reduced:	FON2H17C22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	400.160935
ΔH_f, kcal/mol:	88.56
Dipole, Da:	4.46
IP(EA), eV:	-9.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1H-inden-2-yl)-1,3-thiazol-4-yl]-2-(2-piperidin-4-ylphenyl)ethanone

Drug info:

PubChemData

Smile

C/C/1=C\C2=C(C(=C)CCC(=N)C1=O)C(=CC(=C2)C#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations