Geometry & MOs

Info

ID:	309831
PubChem CID:	126561238
Reduced:	BrO2F3N5H15C20 (1)
Stoich.:	AB2C3D5E15F20 (1)
Weight, g/mol:	422.131366
ΔH_f, kcal/mol:	-112.36
Dipole, Da:	4.58
IP(EA), eV:	-9.18(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(5-methylthiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=NC=CO2)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

DOS

IR

Vibrations