Geometry & MOs

Info

ID:

447820

PubChem CID:

135286004

Reduced:

FN9C35H38 (1)

Stoich.:

AB9C35D38 (1)

Weight, g/mol:

421.165108

ΔHf, kcal/mol:

142.07

Dipole, Da:

6.03

IP(EA), eV:

 -8.56(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CNCC7CCCC7)/C=C32)F

DOS

IR

Vibrations