Geometry & MOs

Info

ID:	308820
PubChem CID:	126522803
Reduced:	FON7H28C32 (1)
Stoich.:	ABC7D28E32 (1)
Weight, g/mol:	435.149538
ΔH_f, kcal/mol:	95.59
Dipole, Da:	6.66
IP(EA), eV:	-8.64(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-(3-fluoro-5-methoxyphenyl)-2-(5-pyridin-2-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CC=C(C=C7)F

DOS

IR

Vibrations