Geometry & MOs

Info

ID:	372108
PubChem CID:	131293278
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	205.09636
ΔH_f, kcal/mol:	67.73
Dipole, Da:	6.4
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-6-methylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=NO1)C2=NN=C(O2)C(CC#C)N

DOS

IR

Vibrations