Geometry & MOs

Info

ID:	226622
PubChem CID:	87544447
Reduced:	Cl2O3N7H15C19 (1)
Stoich.:	A2B3C7D15E19 (1)
Weight, g/mol:	382.147982
ΔH_f, kcal/mol:	43.8
Dipole, Da:	8.32
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[4-[(2R)-2-methylpiperazin-1-yl]-3-[(Z)-prop-1-enyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=CC3=NC=CN3C(=N2)OCCC4=CC(=NC(=C4[N+](=O)[O-])N)N

DOS

IR

Vibrations