Geometry & MOs

Info

ID:	40617
PubChem CID:	8144427
Reduced:	N3O3C15H20 (1)
Stoich.:	A3B3C15D20 (1)
Weight, g/mol:	389.98652
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	3.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757032
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-N-(4-iodophenyl)-2-oxoacetamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations