Geometry & MOs

Info

ID:	308764
PubChem CID:	126522460
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	407.129472
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	4.0
IP(EA), eV:	-8.27(-0.37)
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-pyrazin-2-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3CCCNC3.Cl

DOS

IR

Vibrations