Geometry & MOs

Info

ID:

447832

PubChem CID:

135286098

Reduced:

FON7H24C30 (1)

Stoich.:

ABC7D24E30 (1)

Weight, g/mol:

528.238608

ΔHf, kcal/mol:

107.66

Dipole, Da:

11.11

IP(EA), eV:

 -8.64(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC(=CC=C7)F)N=C3

DOS

IR

Vibrations