Geometry & MOs

Info

ID:	77515
PubChem CID:	49649895
Reduced:	FNO3H7C8 (2)
Stoich.:	ABC3D7E8 (2)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	-193.98
Dipole, Da:	8.89
IP(EA), eV:	-10.07(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-cyano-5-cyclobutyl-3,5-dioxopentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)C(C#N)C(=O)C2CCC2)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations