Geometry & MOs

Info

ID:

327617

PubChem CID:

126690528

Reduced:

NO3C17H22 (2)

Stoich.:

AB3C17D22 (2)

Weight, g/mol:

488.252252

ΔHf, kcal/mol:

-234.37

Dipole, Da:

2.72

IP(EA), eV:

 -8.7(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[hydroxy-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CCC(C=C2)CN(CC(=O)OC(C)(C)C)C(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations