Geometry & MOs

Info

ID:	382009
PubChem CID:	134972909
Reduced:	IN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(3-methoxy-5-methylphenyl)-1,2-dimethylcyclopent-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C2[C@@H]([C@@H]([C@@H](O2)N=[N+]=[N-])I)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations