Geometry & MOs

Info

ID:	284001
PubChem CID:	104025558
Reduced:	NF3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-260.01
Dipole, Da:	4.02
IP(EA), eV:	-9.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)C(CC(=O)O)C(F)(F)F

DOS

IR

Vibrations