Geometry & MOs

Info

ID:	362930
PubChem CID:	127309866
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	354.274324
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	5.09
IP(EA), eV:	-8.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-N,4-N-diethylpiperazine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2=CC=C(C=C2)CN3C(=O)CCC3=O)C

DOS

IR

Vibrations