Geometry & MOs

Info

ID:	391654
PubChem CID:	135007807
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	351.141757
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	2.99
IP(EA), eV:	-9.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethoxy(phenyl)methylidene]-2-methylindol-1-ium;tetrafluoroborate

Drug info:

PubChemData

Smile

CC(=O)OCCCC1=C(C2=CC=CC=C2N=N1)Br

DOS

IR

Vibrations