Geometry & MOs

Info

ID:	27655
PubChem CID:	822851
Reduced:	O3N4H6C7 (1)
Stoich.:	A3B4C6D7 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	25.83
Dipole, Da:	10.55
IP(EA), eV:	-9.89(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4R)-2-(2-fluoro-4-nitrophenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N2C1=CC=N2)[N+](=O)[O-]

DOS

IR

Vibrations