Geometry & MOs

Info

ID:

443518

PubChem CID:

135259237

Reduced:

FO2N4C31H49 (1)

Stoich.:

AB2C4D31E49 (1)

Weight, g/mol:

463.221954

ΔHf, kcal/mol:

-168.54

Dipole, Da:

6.07

IP(EA), eV:

 -9.36(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3,8-trimethyl-6-[[6-methyl-8-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-3,8-diazabicyclo[5.3.0]deca-1(7),2,4,5,9-pentaen-2-yl]amino]-2H-imidazo[1,5-a]pyridine-1,5-dione

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N/C(=C/C(=C(\C)/C(=O)NC2(CCC(CC2)(C)F)C(C)CC)/C)/C(=O)C)CC(C)CC

DOS

IR

Vibrations