Geometry & MOs

Info

ID:

438848

PubChem CID:

135228606

Reduced:

ON3C34H53 (1)

Stoich.:

AB3C34D53 (1)

Weight, g/mol:

521.209676

ΔHf, kcal/mol:

-37.52

Dipole, Da:

4.16

IP(EA), eV:

 -8.37(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2-methoxyphenyl)ethyl]-5-methyl-3-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC(CCN)N=C/C(=C\N)/C1=CC(=C(C=C1CC)/C(=C/C(=C)/C(=C\C)/C(=O)C)/C)CC(C)C(C)(C)C

DOS

IR

Vibrations