Geometry & MOs

Info

ID:	149361
PubChem CID:	53789033
Reduced:	NO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	217.035063
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	3.03
IP(EA), eV:	-9.63(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(trifluoromethyl)oxiran-2-yl]-6-azabicyclo[3.1.1]hepta-1,3-dien-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C2C(=O)NC(=O)O2

DOS

IR

Vibrations