Geometry & MOs

Info

ID:	213968
PubChem CID:	81065602
Reduced:	N2O2F3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-234.49
Dipole, Da:	1.43
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=NC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations