Geometry & MOs

Info

ID:	223990
PubChem CID:	85336646
Reduced:	O6C25H30 (1)
Stoich.:	A6B25C30 (1)
Weight, g/mol:	426.285558
ΔH_f, kcal/mol:	-226.18
Dipole, Da:	3.19
IP(EA), eV:	-10.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2=CC(=O)CCC2(C34C1C5C=CC6(C5(CC3O4)C)CCC(=O)O6)C

DOS

IR

Vibrations