Geometry & MOs

Info

ID:	137880
PubChem CID:	52278452
Reduced:	OSN2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	25.94
Dipole, Da:	4.48
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CC2=CSC(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations