Geometry & MOs

Info

ID:	433493
PubChem CID:	135173630
Reduced:	NF3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	261.205242
ΔH_f, kcal/mol:	-208.67
Dipole, Da:	6.6
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethanol

Drug info:

PubChemData

Smile

COCC#CC1=CC(=C(C=C1)C(F)(F)F)N2CCC(CC2)OC3CC(C3)OC

DOS

IR

Vibrations