Geometry & MOs

Info

ID:	370709
PubChem CID:	127339960
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	42.57
Dipole, Da:	3.32
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)C4=CC=NN4)NN=C2

DOS

IR

Vibrations