Geometry & MOs

Info

ID:	308681
PubChem CID:	126522377
Reduced:	ON8H26C29 (1)
Stoich.:	AB8C26D29 (1)
Weight, g/mol:	407.129472
ΔH_f, kcal/mol:	157.78
Dipole, Da:	10.95
IP(EA), eV:	-8.72(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=CC=N6)/NN3

DOS

IR

Vibrations