Geometry & MOs

Info

ID:	201429
PubChem CID:	79539594
Reduced:	SN2O2C11H24 (1)
Stoich.:	AB2C2D11E24 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	5.43
IP(EA), eV:	-8.91(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-piperidin-2-ylpropan-2-ylamino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CC1CCCCN1)NCCS(=O)(=O)C

DOS

IR

Vibrations