Geometry & MOs

Info

ID:	82940
PubChem CID:	49856849
Reduced:	OF3N6H13C18 (1)
Stoich.:	AB3C6D13E18 (1)
Weight, g/mol:	366.124052
ΔH_f, kcal/mol:	-51.46
Dipole, Da:	7.43
IP(EA), eV:	-8.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(=O)C2=C3N=CC=CN3N=C2)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations