Geometry & MOs

Info

ID:	376714
PubChem CID:	134222739
Reduced:	FON4C31H35 (1)
Stoich.:	ABC4D31E35 (1)
Weight, g/mol:	355.175914
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	4.38
IP(EA), eV:	-8.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-6-[2-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)propyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C)C(C1=O)C(C)(C)CC3=CC(=NC(=N3)C(C)(C)C)C4=CC5=C(N4)C=CC=C5F

DOS

IR

Vibrations