Geometry & MOs

Info

ID:	405982
PubChem CID:	135076185
Reduced:	INO4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	378.074879
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	3.62
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-methyl-2-(trifluoromethylsulfonyloxy)cyclopent-2-en-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)N(CC1=CCC2(CC1)OCCO2)C3=CC=CC=C3I

DOS

IR

Vibrations