Geometry & MOs

Info

ID:	8758
PubChem CID:	81291
Reduced:	NO5C6H15 (1)
Stoich.:	AB5C6D15 (1)
Weight, g/mol:	181.095023
ΔH_f, kcal/mol:	-257.3
Dipole, Da:	3.52
IP(EA), eV:	-10.5(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;acetate

Drug info:

PubChemData

Smile

CC(=O)[O-].C(C(CO)(CO)[NH3+])O

DOS

IR

Vibrations