Geometry & MOs

Info

ID:	149312
PubChem CID:	53788984
Reduced:	FNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	206.080376
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	6.18
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-methylpyrazol-1-yl)-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)NC2=CC=CC(=C2)C(=O)O)F

DOS

IR

Vibrations