Geometry & MOs

Info

ID:

445786

PubChem CID:

135269518

Reduced:

N2O3C25H32 (1)

Stoich.:

A2B3C25D32 (1)

Weight, g/mol:

523.35224

ΔHf, kcal/mol:

-58.93

Dipole, Da:

6.49

IP(EA), eV:

 -8.84(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-hydroxy-4-[[(3S)-4-[[3-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC(C=C2)(C)C=O)C)CC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations