Geometry & MOs

Info

ID:

150881

PubChem CID:

53790578

Reduced:

NOCl2C32H38 (2)

Stoich.:

ABC2D32E38 (2)

Weight, g/mol:

385.155705

ΔHf, kcal/mol:

-85.9

Dipole, Da:

5.86

IP(EA), eV:

 -8.05(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[1-amino-1-(7-chloroquinolin-4-yl)-2-methylpropan-2-yl]amino]methyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=CC2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C=C(C4=CC=C(C=C4)CCCC)C5=CC=C(C=C5)NC6(CC(CC(C6)(C)C)C)C)C7=CC=C(C=C7)NC8(CC(CC(C8)(C)C)C)C

DOS

IR

Vibrations