Geometry & MOs

Info

ID:

438497

PubChem CID:

135228239

Reduced:

ClO2N6C18H19 (1)

Stoich.:

AB2C6D18E19 (1)

Weight, g/mol:

477.201219

ΔHf, kcal/mol:

56.54

Dipole, Da:

1.87

IP(EA), eV:

 -9.18(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 16-methoxy-5-[(3-methoxyphenoxy)methyl]-3-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),5,8,10,14,16-hexaene-9-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=C3CN(C(=N)C4=C(N3C=N2)C=CC(=C4)Cl)C(COC)N

DOS

IR

Vibrations