Geometry & MOs

Info

ID:	132893
PubChem CID:	51440948
Reduced:	NCl2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	198.068567
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	4.02
IP(EA), eV:	-9.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2S)-5-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]azanium

Drug info:

PubChemData

Smile

C1COCCN1[C@H](C2=CC(=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations