Geometry & MOs

Info

ID:	322262
PubChem CID:	126669558
Reduced:	FN2O6C11H13 (1)
Stoich.:	AB2C6D11E13 (1)
Weight, g/mol:	392.090529
ΔH_f, kcal/mol:	-183.26
Dipole, Da:	5.4
IP(EA), eV:	-10.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-butoxy-4-formyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COC(=O)C(C(C[N+](=O)[O-])C1C=NC=C1F)C(=O)OC

DOS

IR

Vibrations