Geometry & MOs

Info

ID:	449725
PubChem CID:	135300974
Reduced:	N4O5H36C37 (1)
Stoich.:	A4B5C36D37 (1)
Weight, g/mol:	256.189926
ΔH_f, kcal/mol:	-66.29
Dipole, Da:	6.46
IP(EA), eV:	-8.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-3-(4-methylpiperazin-2-yl)piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CN3[C@@H](CC4=CC=CC=C43)C=N2)OCCCOC5=C(C=C6C(=C5)NC[C@@H]7CC8=CC=CC=C8N7C6=O)OC

DOS

IR

Vibrations