Geometry & MOs

Info

ID:	65740
PubChem CID:	46386813
Reduced:	ClO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	406.083268
ΔH_f, kcal/mol:	7.91
Dipole, Da:	3.15
IP(EA), eV:	-8.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4

DOS

IR

Vibrations