Geometry & MOs

Info

ID:	308989
PubChem CID:	126533618
Reduced:	FN6H19C26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	525.171336
ΔH_f, kcal/mol:	151.34
Dipole, Da:	6.29
IP(EA), eV:	-8.91(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(2-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC=NC=C6)/C=C23

DOS

IR

Vibrations