Geometry & MOs

Info

ID:	263065
PubChem CID:	103338073
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	250.141638
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	5.43
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O[C@@H](C)C(=O)OC)C)C#N

DOS

IR

Vibrations