Geometry & MOs

Info

ID:	129229
PubChem CID:	51072003
Reduced:	OCl2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-96.15
Dipole, Da:	4.85
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)N.Cl.Cl

DOS

IR

Vibrations