Geometry & MOs

Info

ID:	360381
PubChem CID:	127301026
Reduced:	ClO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	367.212058
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	5.77
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCN(C2=O)C3=CC=C(C=C3)Cl)N4C=NC=N4

DOS

IR

Vibrations