Geometry & MOs

Info

ID:	44310
PubChem CID:	10502650
Reduced:	NO2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	428.198759
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	7.39
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4S,5S)-2-ethynyl-3,4,5-tris(phenylmethoxy)cyclopentan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCOC2=C(C=C(C(=C2)C#N)C#N)OCCOCC3=CC=CC=C3

DOS

IR

Vibrations