Geometry & MOs

Info

ID:	216926
PubChem CID:	85086997
Reduced:	BrO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	316.053404
ΔH_f, kcal/mol:	-38.32
Dipole, Da:	3.89
IP(EA), eV:	-9.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[1-(3-methylindol-2-ylidene)ethyl]aniline

Drug info:

PubChemData

Smile

C1C(C(OC1=O)C2=CC=CC=C2Br)C3=CC=CC=C3

DOS

IR

Vibrations