Geometry & MOs

Info

ID:	430627
PubChem CID:	135170693
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	2.55
IP(EA), eV:	-9.0(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1-methylpyrazol-3-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C1(C)C)C=C(C=C2)CC(=O)NCCCNC(=O)C(=C)C

DOS

IR

Vibrations