Geometry & MOs

Info

ID:

438547

PubChem CID:

135228290

Reduced:

ClO2N6H19C21 (1)

Stoich.:

AB2C6D19E21 (1)

Weight, g/mol:

464.196074

ΔHf, kcal/mol:

128.08

Dipole, Da:

5.02

IP(EA), eV:

 -8.77(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[15-ethynyl-10-methyl-9-(phenylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,11,14,16-hexaen-5-yl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

COCC(=N)N1CC2=C(N=CN2C3=CCC(C=C3C1=N)Cl)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations