Geometry & MOs

Info

ID:	290564
PubChem CID:	104644085
Reduced:	ClNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	1.69
IP(EA), eV:	-9.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(furan-2-yl)propan-2-ylamino]-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NCC(C)(C(=O)OC)O

DOS

IR

Vibrations