Geometry & MOs

Info

ID:	318022
PubChem CID:	126648371
Reduced:	ON2F3H27C28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	426.074879
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	2.45
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=NC2=CC=CC=C2C(=C1)C3=CC=C(C=C3)C(F)(F)F)NCCC4=CC(=CC=C4)OC

DOS

IR

Vibrations