Geometry & MOs

Info

ID:	65721
PubChem CID:	46386788
Reduced:	FON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	390.112819
ΔH_f, kcal/mol:	5.01
Dipole, Da:	3.64
IP(EA), eV:	-8.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CN=CC=C4

DOS

IR

Vibrations