Geometry & MOs

Info

ID:	308866
PubChem CID:	126531669
Reduced:	BrFCl2H2N2C8 (1)
Stoich.:	ABC2D2E2F8 (1)
Weight, g/mol:	482.240339
ΔH_f, kcal/mol:	3.33
Dipole, Da:	1.18
IP(EA), eV:	-10.0(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C2C(=NC(=C1F)Br)C(=C(C=N2)Cl)Cl

DOS

IR

Vibrations