Geometry & MOs

Info

ID:

444101

PubChem CID:

135261326

Reduced:

FON8C31H31 (1)

Stoich.:

ABC8D31E31 (1)

Weight, g/mol:

517.222623

ΔHf, kcal/mol:

123.37

Dipole, Da:

2.6

IP(EA), eV:

 -8.61(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations