Geometry & MOs

Info

ID:	331663
PubChem CID:	127249746
Reduced:	SO2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	432.190989
ΔH_f, kcal/mol:	50.28
Dipole, Da:	2.7
IP(EA), eV:	-9.08(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-indazol-1-yl-1-[2-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=C5C=CC=NC5=CC=C4

DOS

IR

Vibrations