Geometry & MOs

Info

ID:

187964

PubChem CID:

77648918

Reduced:

SN5O5C24H29 (1)

Stoich.:

AB5C5D24E29 (1)

Weight, g/mol:

425.24269

ΔHf, kcal/mol:

-109.42

Dipole, Da:

6.28

IP(EA), eV:

 -8.91(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-1-methyl-3-phenyl-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2C(C(N1)C3=CC=CC=C3)C(=O)NC(N2)C4=C(C=C(C=C4)S(=O)(=O)N5CCC(=O)CC5)OC

DOS

IR

Vibrations