Geometry & MOs

Info

ID:	351511
PubChem CID:	127280399
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	388.168145
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	6.77
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations