Geometry & MOs

Info

ID:	392574
PubChem CID:	135017264
Reduced:	SiO3C13H26 (1)
Stoich.:	AB3C13D26 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-208.6
Dipole, Da:	2.09
IP(EA), eV:	-8.81(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(1S,2R)-2-nitrocyclopentyl]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C[C@@H](C[C@@]1(CO)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations