Geometry & MOs

Info

ID:	82555
PubChem CID:	49856174
Reduced:	N3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	257.132826
ΔH_f, kcal/mol:	77.96
Dipole, Da:	1.74
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-N-[(6-fluoroquinolin-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=NC4=CC=CC=C4C=C3)CN1

DOS

IR

Vibrations