Geometry & MOs

Info

ID:	346679
PubChem CID:	127271183
Reduced:	FO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	1.92
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC2=CC(=C(N=C2C1)NCC3=CC(=CC4=C3OCOC4)F)C#N

DOS

IR

Vibrations