Geometry & MOs

Info

ID:	310098
PubChem CID:	126574314
Reduced:	BrN2O4C24H37 (1)
Stoich.:	AB2C4D24E37 (1)
Weight, g/mol:	325.99022
ΔH_f, kcal/mol:	-192.17
Dipole, Da:	4.55
IP(EA), eV:	-8.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-1-methyl-4-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)Br)N2CCC3(CCC3)CC2)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations