Geometry & MOs

Info

ID:	422073
PubChem CID:	135117130
Reduced:	FN2O5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	-181.15
Dipole, Da:	4.24
IP(EA), eV:	-9.25(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOCC1CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations