Geometry & MOs

Info

ID:	340837
PubChem CID:	127263272
Reduced:	ClN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	251.071306
ΔH_f, kcal/mol:	-99.0
Dipole, Da:	3.03
IP(EA), eV:	-8.86(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCNC(=O)C)OC.Cl

DOS

IR

Vibrations