Geometry & MOs

Info

ID:	411609
PubChem CID:	135084441
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-15.38
Dipole, Da:	3.26
IP(EA), eV:	-9.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-hydroxypropyl)-4,4-dimethyl-3-oxocyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C(=N/OC(=O)C)/CC=C

DOS

IR

Vibrations