Geometry & MOs

Info

ID:	366619
PubChem CID:	127320148
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	4.22
IP(EA), eV:	-8.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)C2=C3C(=CC=C2)OCO3

DOS

IR

Vibrations