Geometry & MOs

Info

ID:	400472
PubChem CID:	135048025
Reduced:	OC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	1.98
IP(EA), eV:	-8.64(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1-prop-2-enoxycarbonylcyclopentyl)methyl benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@](C1)(C)O[C@H]2CC=C(C=C2)OC)C(C)C

DOS

IR

Vibrations