Geometry & MOs

Info

ID:	190883
PubChem CID:	78071931
Reduced:	SCl2O2N6H22C23 (1)
Stoich.:	AB2C2D6E22F23 (1)
Weight, g/mol:	409.155705
ΔH_f, kcal/mol:	9.75
Dipole, Da:	6.46
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-methyl-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC2=C3C(=NC=N2)N(C(=N3)C4=CC=CC=C4Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations