Geometry & MOs

Info

ID:	130284
PubChem CID:	51075499
Reduced:	ClFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-169.54
Dipole, Da:	4.33
IP(EA), eV:	-9.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(furan-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CN(CCCC(=O)OC)C(=O)C1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations