Geometry & MOs

Info

ID:

308962

PubChem CID:

126532929

Reduced:

FO2N7H32C37 (1)

Stoich.:

AB2C7D32E37 (1)

Weight, g/mol:

422.185509

ΔHf, kcal/mol:

88.03

Dipole, Da:

8.17

IP(EA), eV:

 -8.36(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)/C=C32)F

DOS

IR

Vibrations