Geometry & MOs

Info

ID:	35400
PubChem CID:	7979809
Reduced:	ClN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	344.056385
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	1.64
IP(EA), eV:	-9.02(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-2-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations