Geometry & MOs

Info

ID:

43883

PubChem CID:

10321927

Reduced:

N2O5C26H38 (1)

Stoich.:

A2B5C26D38 (1)

Weight, g/mol:

458.268176

ΔHf, kcal/mol:

-173.11

Dipole, Da:

5.5

IP(EA), eV:

 -8.12(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-1-[2-methyl-3-[2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(CCCNC(=O)CCCC1=CC(=C(C=C1)OC)OC)CCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations