Geometry & MOs

Info

ID:	336266
PubChem CID:	127255273
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	5.73
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)C

DOS

IR

Vibrations