Geometry & MOs

Info

ID:	73368
PubChem CID:	48417536
Reduced:	O2F3N4H9C13 (1)
Stoich.:	A2B3C4D9E13 (1)
Weight, g/mol:	334.129057
ΔH_f, kcal/mol:	-131.35
Dipole, Da:	6.3
IP(EA), eV:	-9.49(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations