Geometry & MOs

Info

ID:	308759
PubChem CID:	126522455
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	460.187241
ΔH_f, kcal/mol:	-18.24
Dipole, Da:	1.62
IP(EA), eV:	-9.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(3E)-3-(4-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)C3=CC=CC=N3

DOS

IR

Vibrations