Geometry & MOs

Info

ID:	410974
PubChem CID:	135083778
Reduced:	ClO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-22.75
Dipole, Da:	4.06
IP(EA), eV:	-9.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C=C1C(=O)N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations