Geometry & MOs

Info

ID:	346413
PubChem CID:	127270917
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	3.41
IP(EA), eV:	-9.03(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)C(=O)NC4=NC=C(C=C4)Cl)NN=C2

DOS

IR

Vibrations