Geometry & MOs

Info

ID:	372109
PubChem CID:	131293294
Reduced:	ON5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	205.09636
ΔH_f, kcal/mol:	24.72
Dipole, Da:	4.23
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N(N1)C2=NC(=CC(=N2)N)C

DOS

IR

Vibrations