Geometry & MOs

Info

ID:	370882
PubChem CID:	127341206
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-195.53
Dipole, Da:	4.74
IP(EA), eV:	-9.47(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations