Geometry & MOs

Info

ID:

444147

PubChem CID:

135261467

Reduced:

FO2N7H28C31 (1)

Stoich.:

AB2C7D28E31 (1)

Weight, g/mol:

513.173565

ΔHf, kcal/mol:

98.7

Dipole, Da:

8.35

IP(EA), eV:

 -8.53(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-phenyl-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]methyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCCN7CCCC7)/C=C32)F

DOS

IR

Vibrations