Geometry & MOs

Info

ID:	363363
PubChem CID:	127310900
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	6.86
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations