Geometry & MOs

Info

ID:	263063
PubChem CID:	103337904
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	6.45
IP(EA), eV:	-9.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(2-thiophen-2-ylethoxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)O[C@@H](C)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations