Geometry & MOs

Info

ID:

379142

PubChem CID:

134354800

Reduced:

N3O8H83C84 (1)

Stoich.:

A3B8C83D84 (1)

Weight, g/mol:

411.274659

ΔHf, kcal/mol:

-36.07

Dipole, Da:

3.82

IP(EA), eV:

 -7.39(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,2-dimethylpyrrolidin-1-yl)-3-[1-[6-imino-1-(2-methylpropanimidoyl)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C2=C(C=C(C=C2)N(C=C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C=C(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C7=C1C=CC(=C7)N(C=C(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)C=C(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC

DOS

IR

Vibrations