Geometry & MOs

Info

ID:	261273
PubChem CID:	103224659
Reduced:	NO4C9H19 (1)
Stoich.:	AB4C9D19 (1)
Weight, g/mol:	219.147058
ΔH_f, kcal/mol:	-189.49
Dipole, Da:	3.27
IP(EA), eV:	-9.57(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CCO)C(COC)C(=O)O

DOS

IR

Vibrations