Geometry & MOs

Info

ID:	312039
PubChem CID:	126602132
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	2.62
Dipole, Da:	4.75
IP(EA), eV:	-8.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-2-phenylmethoxyethoxy)propanoic acid

Drug info:

PubChemData

Smile

CCN1CCCC1(C2=CC=CC=C2C3=C(N=CS3)C)C(=O)N

DOS

IR

Vibrations