Geometry & MOs

Info

ID:	357742
PubChem CID:	127294416
Reduced:	SO2N6C17H28 (1)
Stoich.:	AB2C6D17E28 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	6.48
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanophenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)N2CCC(CC2)C(=O)NC3=NN=CS3

DOS

IR

Vibrations