Geometry & MOs

Info

ID:	392462
PubChem CID:	135016795
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	372.076451
ΔH_f, kcal/mol:	22.96
Dipole, Da:	4.89
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-2-[2-(2-chlorophenyl)-2-oxoethyl]-1-hydroxy-3-oxo-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C/C(=C\C2=CC=CC=C2C)/[N+](=O)[O-]

DOS

IR

Vibrations