Geometry & MOs

Info

ID:	411532
PubChem CID:	135084364
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-46.7
Dipole, Da:	3.7
IP(EA), eV:	-9.28(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(prop-2-ynoxymethyl)cycloprop-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCC[C@H]([C@H]1O2)OCC3=CC=CC=C3

DOS

IR

Vibrations