Geometry & MOs

Info

ID:	35399
PubChem CID:	7979808
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	344.056385
ΔH_f, kcal/mol:	-130.35
Dipole, Da:	1.19
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)OC

DOS

IR

Vibrations