Geometry & MOs

Info

ID:	161865
PubChem CID:	57392889
Reduced:	OF3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	5.82
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-1-(2-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=NC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations