Geometry & MOs

Info

ID:

223656

PubChem CID:

85335378

Reduced:

ClO2N5C26H34 (1)

Stoich.:

AB2C5D26E34 (1)

Weight, g/mol:

482.311773

ΔHf, kcal/mol:

-29.76

Dipole, Da:

3.11

IP(EA), eV:

 -8.59(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-benzyl-6-[1-[2-(dimethylamino)ethyl-[(2-methoxypyrimidin-5-yl)methyl]amino]propyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2C(CC1NC3=CC=CC=C3Cl)NNC2C4=CC(=CC=C4)C(=O)NCCN5CCOCC5

DOS

IR

Vibrations