Geometry & MOs

Info

ID:	437978
PubChem CID:	135227431
Reduced:	O2F3N3H18C21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	5.89
IP(EA), eV:	-9.05(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene;1H-indene;hydrate

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F)OC(N1CCC4=NC=CC=N4)O

DOS

IR

Vibrations