Geometry & MOs

Info

ID:	362019
PubChem CID:	127305542
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	336.173231
ΔH_f, kcal/mol:	-137.84
Dipole, Da:	6.05
IP(EA), eV:	-9.12(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations