Geometry & MOs

Info

ID:	310650
PubChem CID:	126584099
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	296.056385
ΔH_f, kcal/mol:	-40.32
Dipole, Da:	8.05
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N(C(=C2CCCO)C)C)[N+](=O)[O-]

DOS

IR

Vibrations