Geometry & MOs

Info

ID:	231590
PubChem CID:	87574241
Reduced:	O2N3F6C29H29 (1)
Stoich.:	A2B3C6D29E29 (1)
Weight, g/mol:	245.98916
ΔH_f, kcal/mol:	-351.68
Dipole, Da:	5.73
IP(EA), eV:	-8.82(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromoprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1CC2CCN(C(C2)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=C5C=CNC(=O)C5=CC=C4

DOS

IR

Vibrations