Geometry & MOs

Info

ID:	308754
PubChem CID:	126522450
Reduced:	N8H18C23 (1)
Stoich.:	A8B18C23 (1)
Weight, g/mol:	412.090644
ΔH_f, kcal/mol:	217.51
Dipole, Da:	6.18
IP(EA), eV:	-8.56(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-pyridin-4-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CN=CC=C6)/NN3

DOS

IR

Vibrations