Geometry & MOs

Info

ID:	362339
PubChem CID:	127307380
Reduced:	FON6C20H29 (1)
Stoich.:	ABC6D20E29 (1)
Weight, g/mol:	327.22704
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	3.15
IP(EA), eV:	-8.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methoxyacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2CCCN(C2)C3=C(C=C(C=C3)C#N)F)C

DOS

IR

Vibrations