Geometry & MOs

Info

ID:	198343
PubChem CID:	79090077
Reduced:	SN2O4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	-186.45
Dipole, Da:	7.12
IP(EA), eV:	-9.06(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C2CCC1CN(CC2)S(=O)(=O)CCCC(=O)OC

DOS

IR

Vibrations