Geometry & MOs

Info

ID:	430623
PubChem CID:	135170689
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	4.63
Dipole, Da:	3.06
IP(EA), eV:	-9.98(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-4-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C)(C)CC=C

DOS

IR

Vibrations