Geometry & MOs

Info

ID:	416910
PubChem CID:	135090771
Reduced:	FN3O5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-174.33
Dipole, Da:	6.63
IP(EA), eV:	-9.21(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CN(C)CC(CNC1=NOC(=C1C(=O)O)C2=CC(=C(C=C2)F)OC)O

DOS

IR

Vibrations