Geometry & MOs

Info

ID:	142589
PubChem CID:	53063528
Reduced:	ClO4N6H21C23 (1)
Stoich.:	AB4C6D21E23 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	6.95
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)N(C(=O)C(=N2)C3=NOC(=N3)CCC(=O)NC4=C(C=C(C=C4)Cl)C)C

DOS

IR

Vibrations