Geometry & MOs

Info

ID:	74172
PubChem CID:	48421544
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	25.98
Dipole, Da:	2.71
IP(EA), eV:	-8.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=C(N=CC=C3)N4C=CC=N4

DOS

IR

Vibrations