Geometry & MOs

Info

ID:	369045
PubChem CID:	127331167
Reduced:	O2N7C16H19 (1)
Stoich.:	A2B7C16D19 (1)
Weight, g/mol:	374.152495
ΔH_f, kcal/mol:	2.22
Dipole, Da:	3.27
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations