Geometry & MOs

Info

ID:

222894

PubChem CID:

85332954

Reduced:

ClN4O4C32H49 (1)

Stoich.:

AB4C4D32E49 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-204.47

Dipole, Da:

9.27

IP(EA), eV:

 -9.07(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[2-(5-ethyl-1-methyl-7-oxo-3-propyl-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-N-(2-hydroxy-1-phenylethyl)-2-propoxypropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)Cl)NC(=O)C3CN(CCN3C)C(C)C)C4CCCCC4

DOS

IR

Vibrations