Geometry & MOs

Info

ID:	310639
PubChem CID:	126584079
Reduced:	BrN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	266.070285
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	10.09
IP(EA), eV:	-9.24(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-methyl-7-nitro-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations