Geometry & MOs

Info

ID:	341960
PubChem CID:	127264653
Reduced:	ClNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-123.9
Dipole, Da:	8.07
IP(EA), eV:	-9.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S)-5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H](CC(=O)O)N)C.Cl

DOS

IR

Vibrations