Geometry & MOs

Info

ID:	370707
PubChem CID:	127339952
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	50.89
Dipole, Da:	1.41
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCC(CC3)C4=CC=NN4)C

DOS

IR

Vibrations