Geometry & MOs

Info

ID:	330317
PubChem CID:	127247304
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	2.99
Dipole, Da:	4.84
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations