Geometry & MOs

Info

ID:	163121
PubChem CID:	57646365
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	137.032422
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	8.74
IP(EA), eV:	-6.88(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3,3-trihydroxypropanoic acid

Drug info:

PubChemData

Smile

[CH2]OC(C(CO)O)C(C(C[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=C1)O)O

DOS

IR

Vibrations