Geometry & MOs

Info

ID:	361115
PubChem CID:	127302031
Reduced:	SO2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	2.69
IP(EA), eV:	-8.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)CCNC(=O)C2=CSC=C2)C

DOS

IR

Vibrations