Geometry & MOs

Info

ID:	356925
PubChem CID:	127292533
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	354.274324
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	2.51
IP(EA), eV:	-8.45(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(ethylamino)-2-oxoethyl]-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)NC(C)CN3CCN(CC3)C

DOS

IR

Vibrations