Geometry & MOs

Info

ID:	445795
PubChem CID:	135269591
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	554.36322
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	6.57
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-4-[[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxymethyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations