Geometry & MOs

Info

ID:	362352
PubChem CID:	127307421
Reduced:	ON3C9H17 (2)
Stoich.:	AB3C9D17 (2)
Weight, g/mol:	352.204531
ΔH_f, kcal/mol:	-93.51
Dipole, Da:	6.45
IP(EA), eV:	-8.4(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCN(CC2)C(=O)CN3CCCC3)C

DOS

IR

Vibrations