Geometry & MOs

Info

ID:	441700
PubChem CID:	135241235
Reduced:	NO3H25C26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	443.181821
ΔH_f, kcal/mol:	-52.84
Dipole, Da:	10.58
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyridin-2-yl]piperidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC=C(C1)C2=CC=C(C=C2)CNC3=CC(=C(C=C3)C(=O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations