Geometry & MOs

Info

ID:	47831
PubChem CID:	10535516
Reduced:	FN3O3H4C6 (1)
Stoich.:	AB3C3D4E6 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	5.2
IP(EA), eV:	-11.02(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-1,5-dimethyl-2-nitro-2,4-diazabicyclo[3.2.0]heptan-3-one

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1[N+](=O)[O-])C(=O)N)F

DOS

IR

Vibrations