Geometry & MOs

Info

ID:	19708
PubChem CID:	570887
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-149.7
Dipole, Da:	3.18
IP(EA), eV:	-10.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-methoxy-2-methyl-3-oxopropyl)cyclopent-2-en-1-yl] benzoate

Drug info:

PubChemData

Smile

CC(CC1CC=CC1OC(=O)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations