Geometry & MOs

Info

ID:

423755

PubChem CID:

135120161

Reduced:

O6N8C33H40 (1)

Stoich.:

A6B8C33D40 (1)

Weight, g/mol:

415.200825

ΔHf, kcal/mol:

-111.27

Dipole, Da:

14.13

IP(EA), eV:

 -8.85(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CCCC4=NC(=NO4)C5=CC=CC=C5OC

DOS

IR

Vibrations