Geometry & MOs

Info

ID:	133853
PubChem CID:	51601157
Reduced:	F2N2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-40.78
Dipole, Da:	4.04
IP(EA), eV:	-8.6(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-10-nitro-3-oxatricyclo[6.4.0.02,4]dodeca-1(8),9,11-triene

Drug info:

PubChemData

Smile

C1[C@H](C2=C(N1CC3=CC=C(C=C3)F)C=CC(=C2)F)N

DOS

IR

Vibrations