Geometry & MOs

Info

ID:	261272
PubChem CID:	103224657
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	205.131408
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	5.39
IP(EA), eV:	-9.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CCN(CCC#N)C(COC)C(=O)O

DOS

IR

Vibrations