Geometry & MOs

Info

ID:	179850
PubChem CID:	76542298
Reduced:	Cl2N2O3C17H24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	449.220023
ΔH_f, kcal/mol:	-141.74
Dipole, Da:	8.71
IP(EA), eV:	-9.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-tert-butyl-N-[[4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxypropyl]morpholin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1CN(CCO1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations