Geometry & MOs

Info

ID:	355608
PubChem CID:	127289366
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-71.57
Dipole, Da:	7.72
IP(EA), eV:	-9.04(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-4-yl-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCCC1C(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations