Geometry & MOs

Info

ID:	310099
PubChem CID:	126574358
Reduced:	BrN2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	325.99022
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	7.95
IP(EA), eV:	-9.36(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-1-methyl-4-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CN(C2=C1C(=CC(=C2)Br)[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations