Geometry & MOs

Info

ID:	435573
PubChem CID:	135191845
Reduced:	F2N2O5C16H20 (1)
Stoich.:	A2B2C5D16E20 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-304.96
Dipole, Da:	3.57
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S)-3-methoxycarbonylcyclopentyl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1COC2=C(C=C(C=C2)OC(F)F)N(C1=O)C

DOS

IR

Vibrations