Geometry & MOs

Info

ID:	413840
PubChem CID:	135086790
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-121.87
Dipole, Da:	3.29
IP(EA), eV:	-9.41(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-oxo-3-phenylcycloheptyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCC(C1=O)C2=CC=CC=C2

DOS

IR

Vibrations