Geometry & MOs

Info

ID:	201413
PubChem CID:	79536573
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	2.79
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(NCC1)CC(=O)C2=CSC=C2

DOS

IR

Vibrations