Geometry & MOs

Info

ID:	297582
PubChem CID:	117622314
Reduced:	OSN4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	80.27
Dipole, Da:	2.91
IP(EA), eV:	-8.67(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-amino-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\C1=NC(=CS1)C2=CC\3=C(C=C2)NC(=O)/C3=C\C4=NC=CN4

DOS

IR

Vibrations