Geometry & MOs

Info

ID:	310638
PubChem CID:	126584078
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	340.00587
ΔH_f, kcal/mol:	14.12
Dipole, Da:	2.96
IP(EA), eV:	-7.99(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC2=C(N1)C(=CC=C2)N

DOS

IR

Vibrations