Geometry & MOs

Info

ID:	332244
PubChem CID:	127250530
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	445.175004
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	3.3
IP(EA), eV:	-8.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(CC1)CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations