Geometry & MOs

Info

ID:

191594

PubChem CID:

78165496

Reduced:

N2O2Cl4H30C37 (1)

Stoich.:

A2B2C4D30E37 (1)

Weight, g/mol:

514.215384

ΔHf, kcal/mol:

19.6

Dipole, Da:

1.39

IP(EA), eV:

 -8.74(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 15-(3,4-dichlorophenyl)-5,9,13-trimethyl-15,16-diazapentacyclo[11.5.1.01,10.04,9.014,18]nonadeca-14(18),16-diene-5-carboxylate

Drug info:

PubChemData

Smile

CN1CC(=CC2=C(C(=CC=C2)Cl)Cl)C(=O)C3(C1)C(C4CCCCN4C35C6=CC=CC7=C6C(=CC=C7)C5=O)C8=C(C(=CC=C8)Cl)Cl

DOS

IR

Vibrations