Geometry & MOs

Info

ID:

444113

PubChem CID:

135261343

Reduced:

FON8H29C30 (1)

Stoich.:

ABC8D29E30 (1)

Weight, g/mol:

523.179044

ΔHf, kcal/mol:

123.06

Dipole, Da:

3.53

IP(EA), eV:

 -8.6(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-[2-(dimethylamino)ethoxy]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)N(C)C)/C=C32)F

DOS

IR

Vibrations