Geometry & MOs

Info

ID:

161723

PubChem CID:

57392442

Reduced:

ClON3C28H32 (1)

Stoich.:

ABC3D28E32 (1)

Weight, g/mol:

533.219368

ΔHf, kcal/mol:

-8.0

Dipole, Da:

4.73

IP(EA), eV:

 -9.2(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[2-(dimethylamino)ethyl]-3-[2-[2-(methylamino)ethoxy]ethyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C(C2=CC=C(C=C2)Cl)NC(=O)CCN3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations