Geometry & MOs

Info

ID:	186516
PubChem CID:	77441171
Reduced:	ClF3N3O5C27H27 (1)
Stoich.:	AB3C3D5E27F27 (1)
Weight, g/mol:	367.169605
ΔH_f, kcal/mol:	-308.21
Dipole, Da:	5.35
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-fluoropyridin-3-yl)-4a-methylspiro[3,4,5,10a-tetrahydro-1H-benzo[g]isochromene-10,4'-5H-1,3-oxazole]-2'-amine

Drug info:

PubChemData

Smile

CC(C)OC1CCC2C(C1)C3(COC(=N3)N)C4=C(O2)C=CC(=C4)C5=CC(=CC(=C5)C#N)Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations