Geometry & MOs

Info

ID:	223516
PubChem CID:	85335157
Reduced:	SN2O3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	407.268511
ΔH_f, kcal/mol:	-100.64
Dipole, Da:	7.62
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(N1CC(CNS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O)C

DOS

IR

Vibrations