Geometry & MOs

Info

ID:	418342
PubChem CID:	135104236
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	5.66
IP(EA), eV:	-9.0(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)CCC4=CNN=C4)OCC2

DOS

IR

Vibrations