Geometry & MOs

Info

ID:	79796
PubChem CID:	49830465
Reduced:	O3N6H22C25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	52.71
Dipole, Da:	1.58
IP(EA), eV:	-8.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxypiperidin-1-yl)-[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC2=NNC3=C2C=C(C=C3)C4=CN(N=N4)CC5=CC=CC=C5)OC

DOS

IR

Vibrations