Geometry & MOs

Info

ID:	43606
PubChem CID:	10321537
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	450.241962
ΔH_f, kcal/mol:	-108.63
Dipole, Da:	4.43
IP(EA), eV:	-8.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(NC1)N=C(C=C2)CCC(=O)N3CCC(CC3)CCC(CC(=O)O)C4=CN=CC=C4

DOS

IR

Vibrations