Geometry & MOs

Info

ID:	216945
PubChem CID:	85087020
Reduced:	NOH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	318.163123
ΔH_f, kcal/mol:	80.86
Dipole, Da:	2.34
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-(2-fluorophenoxy)propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(C(=CC2=CC=C(C=C2)OC)[N+]#[C-])[N+]#[C-]

DOS

IR

Vibrations