Geometry & MOs

Info

ID:	447912
PubChem CID:	135286746
Reduced:	FON8H27C28 (1)
Stoich.:	ABC8D27E28 (1)
Weight, g/mol:	404.149793
ΔH_f, kcal/mol:	113.47
Dipole, Da:	10.97
IP(EA), eV:	-8.67(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-3-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)OCCN(C)C)/NN3

DOS

IR

Vibrations