Geometry & MOs

Info

ID:	261951
PubChem CID:	103261382
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	233.162708
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	4.47
IP(EA), eV:	-10.5(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)ONCC1=NC=NC=C1C(=O)O

DOS

IR

Vibrations