Geometry & MOs

Info

ID:	349935
PubChem CID:	127276740
Reduced:	SO3N5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	2.93
IP(EA), eV:	-9.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CC)C1=NN=C(S1)NC(=O)C2CCC3(CC2)C(=O)NC(=O)N3

DOS

IR

Vibrations