Geometry & MOs

Info

ID:	197988
PubChem CID:	79026350
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	3.36
IP(EA), eV:	-9.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-hydroxy-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCOCC2

DOS

IR

Vibrations