Geometry & MOs

Info

ID:	239987
PubChem CID:	93375490
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	3.37
IP(EA), eV:	-9.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[(3-aminobenzoyl)-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C[C@H](CN(C)C(=O)C1=CC=C(C=C1)CN)C(=O)OC

DOS

IR

Vibrations