Geometry & MOs

Info

ID:	355876
PubChem CID:	127290728
Reduced:	SN3O3C14H25 (1)
Stoich.:	AB3C3D14E25 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-133.84
Dipole, Da:	5.71
IP(EA), eV:	-9.04(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanophenyl)methyl]-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C)CN1CCC(CC1)NC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations