Geometry & MOs

Info

ID:	435569
PubChem CID:	135191829
Reduced:	FN3C26H34 (1)
Stoich.:	AB3C26D34 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-13.48
Dipole, Da:	4.76
IP(EA), eV:	-7.89(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-methoxycarbonylcyclopentyl] benzoate

Drug info:

PubChemData

Smile

CCC(CCCN1CCC2C(C1)C3=C4N2CCN(C4=CC=C3)C)C5=CC=C(C=C5)F

DOS

IR

Vibrations