Geometry & MOs

Info

ID:

447849

PubChem CID:

135286349

Reduced:

FN11C30H30 (1)

Stoich.:

AB11C30D30 (1)

Weight, g/mol:

489.191323

ΔHf, kcal/mol:

189.44

Dipole, Da:

5.01

IP(EA), eV:

 -8.39(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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(=N6)N7CC(C7)N)/C=C32)F

DOS

IR

Vibrations