Geometry & MOs

Info

ID:

309016

PubChem CID:

126534661

Reduced:

N4H13C14 (2)

Stoich.:

A4B13C14 (2)

Weight, g/mol:

462.196823

ΔHf, kcal/mol:

201.05

Dipole, Da:

3.07

IP(EA), eV:

 -8.65(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(3E)-3-[4-(3-fluorophenyl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN7CCCC7)/C=C32

DOS

IR

Vibrations