Geometry & MOs

Info

ID:	158456
PubChem CID:	56463697
Reduced:	O2N4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	439.21951
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	4.33
IP(EA), eV:	-8.71(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CNC(=O)CC3CCCCC3

DOS

IR

Vibrations