Geometry & MOs

Info

ID:	361649
PubChem CID:	127303981
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	10.2
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations