Geometry & MOs

Info

ID:	310100
PubChem CID:	126574359
Reduced:	BrN2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	297.112484
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	8.91
IP(EA), eV:	-9.28(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;3-(7-fluoro-1,2-dimethyl-4-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=C(C=C2[N+](=O)[O-])Br)CCC(=O)O

DOS

IR

Vibrations