Geometry & MOs

Info

ID:	203388
PubChem CID:	79822231
Reduced:	OH6N6C9 (1)
Stoich.:	AB6C6D9 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	103.16
Dipole, Da:	6.55
IP(EA), eV:	-9.65(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C1=CN=CN=C1N2C3=NC=NC(=O)C3=CN2

DOS

IR

Vibrations