Geometry & MOs

Info

ID:

308928

PubChem CID:

126531884

Reduced:

N5H8C10 (2)

Stoich.:

A5B8C10 (2)

Weight, g/mol:

618.286701

ΔHf, kcal/mol:

246.66

Dipole, Da:

13.05

IP(EA), eV:

 -8.45(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN(N=C6)C)NN4)/N=C32

DOS

IR

Vibrations