Geometry & MOs

Info

ID:	310651
PubChem CID:	126584105
Reduced:	ClN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	296.056385
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	3.44
IP(EA), eV:	-9.14(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-1,2-dimethyl-4-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2N1C)[N+](=O)[O-])Cl)CCC(=O)O

DOS

IR

Vibrations