Geometry & MOs

Info

ID:	85867
PubChem CID:	49879801
Reduced:	ClI2N2O2H11C17 (1)
Stoich.:	AB2C2D2E11F17 (1)
Weight, g/mol:	427.08954
ΔH_f, kcal/mol:	43.21
Dipole, Da:	4.34
IP(EA), eV:	-9.31(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-4-morpholin-4-ylphenyl)-1,5-dimethylindole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1I)/C=C(/C#N)\C(=O)NC2=CC(=CC=C2)Cl)I

DOS

IR

Vibrations