Geometry & MOs

Info

ID:	127235
PubChem CID:	50995492
Reduced:	FON5H20C24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	433.110566
ΔH_f, kcal/mol:	20.87
Dipole, Da:	3.88
IP(EA), eV:	-8.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CNC5=C4C=CC=N5

DOS

IR

Vibrations