Geometry & MOs

Info

ID:	188640
PubChem CID:	77746976
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	233.09644
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	6.84
IP(EA), eV:	-9.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-2-fluorophenyl)-3-oxa-5-azatricyclo[4.2.0.01,7]oct-4-en-4-amine

Drug info:

PubChemData

Smile

CCCCCN(C1=CC=CC=C1)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations