Geometry & MOs

Info

ID:	371176
PubChem CID:	127343999
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-72.94
Dipole, Da:	4.62
IP(EA), eV:	-9.34(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-2-propan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNC(=O)N2CCC(CC2)CN3C=CC=N3

DOS

IR

Vibrations