Geometry & MOs

Info

ID:	445825
PubChem CID:	135269684
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	540.347569
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	5.88
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]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=C3C4=COC=C4

DOS

IR

Vibrations