Geometry & MOs

Info

ID:

447964

PubChem CID:

135287163

Reduced:

FON8H25C28 (1)

Stoich.:

ABC8D25E28 (1)

Weight, g/mol:

494.163729

ΔHf, kcal/mol:

121.03

Dipole, Da:

10.58

IP(EA), eV:

 -8.48(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3Z)-3-(7-thiophen-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C23)F

DOS

IR

Vibrations