Geometry & MOs

Info

ID:	65717
PubChem CID:	46386784
Reduced:	OF3N4H13C20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	406.144119
ΔH_f, kcal/mol:	-79.19
Dipole, Da:	2.5
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=C(C3=C(N2)C=CC(=C3)F)NC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations