Geometry & MOs

Info

ID:	82161
PubChem CID:	49855708
Reduced:	F2O3N8H20C24 (1)
Stoich.:	A2B3C8D20E24 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	8.7
IP(EA), eV:	-8.57(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpiperidin-1-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(=O)N5CCC(C5)(F)F

DOS

IR

Vibrations