Geometry & MOs

Info

ID:

444103

PubChem CID:

135261331

Reduced:

FON7H20C25 (1)

Stoich.:

ABC7D20E25 (1)

Weight, g/mol:

533.19978

ΔHf, kcal/mol:

113.88

Dipole, Da:

8.4

IP(EA), eV:

 -8.53(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3Z)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OC)/NN3

DOS

IR

Vibrations