Geometry & MOs

Info

ID:	370681
PubChem CID:	127339855
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-15.34
Dipole, Da:	3.7
IP(EA), eV:	-9.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)CCC3=CC4=CC=CC=C4O3

DOS

IR

Vibrations