Geometry & MOs

Info

ID:	290561
PubChem CID:	104644075
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	219.110673
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	4.15
IP(EA), eV:	-9.41(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxan-2-ylmethylamino)-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(CNCCC1=CC=CO1)(C(=O)OC)O

DOS

IR

Vibrations