Geometry & MOs

Info

ID:	65652
PubChem CID:	46386716
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	406.04292
ΔH_f, kcal/mol:	-27.81
Dipole, Da:	10.03
IP(EA), eV:	-8.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)NC2=C(NC3=CC=CC=C32)C4=CN=CC=C4)Cl)OC

DOS

IR

Vibrations