Geometry & MOs

Info

ID:	356843
PubChem CID:	127292383
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	391.238353
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	6.0
IP(EA), eV:	-8.53(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCC3=C(ON=C3C)C

DOS

IR

Vibrations