Geometry & MOs

Info

ID:	168875
PubChem CID:	75031934
Reduced:	NOF3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	359.08848
ΔH_f, kcal/mol:	-109.88
Dipole, Da:	3.82
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)spiro[1-azatricyclo[6.3.2.04,13]tridec-6-ene-12,2'-oxirane]

Drug info:

PubChemData

Smile

C#CC(CO)(C1=CC=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations