Geometry & MOs

Info

ID:	27654
PubChem CID:	822846
Reduced:	F2N2O3H10C14 (1)
Stoich.:	A2B2C3D10E14 (1)
Weight, g/mol:	194.04399
ΔH_f, kcal/mol:	-141.25
Dipole, Da:	4.09
IP(EA), eV:	-9.73(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-nitropyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)CC#N

DOS

IR

Vibrations