Geometry & MOs

Info

ID:	346371
PubChem CID:	127270875
Reduced:	FON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	4.5
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F)NN=C2

DOS

IR

Vibrations