Geometry & MOs

Info

ID:	332061
PubChem CID:	127250347
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	445.175004
ΔH_f, kcal/mol:	77.27
Dipole, Da:	2.09
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[5-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=NN4

DOS

IR

Vibrations