Geometry & MOs

Info

ID:

443306

PubChem CID:

135258503

Reduced:

NCl2O5H25C30 (1)

Stoich.:

AB2C5D25E30 (1)

Weight, g/mol:

543.412396

ΔHf, kcal/mol:

-77.75

Dipole, Da:

3.47

IP(EA), eV:

 -8.94(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(tert-butylamino)ethoxy]-3-[3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@H]1C2=CC=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C6=CC(=CC=C6)C(=O)O

DOS

IR

Vibrations