Geometry & MOs

Info

ID:	190884
PubChem CID:	78071932
Reduced:	ClO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	5.3
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC3C4CCN(C3CC5=CN=CC=C5)CC4

DOS

IR

Vibrations