Geometry & MOs

Info

ID:	244283
PubChem CID:	99319679
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	4.4
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)C3=CC=C(C=C3)CN4CCC(CC4)OC

DOS

IR

Vibrations