Geometry & MOs

Info

ID:	161636
PubChem CID:	57392205
Reduced:	O2F3N7H24C31 (1)
Stoich.:	A2B3C7D24E31 (1)
Weight, g/mol:	242.037754
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	7.12
IP(EA), eV:	-8.84(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C4=NC5=CNN(C5=NC(=O)C4)CC6=CC=CC=C6

DOS

IR

Vibrations