Geometry & MOs

Info

ID:	310677
PubChem CID:	126584244
Reduced:	BrN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	5.53
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-ethenyl-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C=CC(=C21)Br)[N+](=O)[O-])CCCO

DOS

IR

Vibrations