Geometry & MOs

Info

ID:	370715
PubChem CID:	127339978
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	4.66
IP(EA), eV:	-9.25(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations