Geometry & MOs

Info

ID:	308729
PubChem CID:	126522425
Reduced:	N7H17C24 (1)
Stoich.:	A7B17C24 (1)
Weight, g/mol:	407.129472
ΔH_f, kcal/mol:	218.89
Dipole, Da:	5.52
IP(EA), eV:	-8.81(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CN=CC=C6)/NN3

DOS

IR

Vibrations