Geometry & MOs

Info

ID:	271832
PubChem CID:	103693555
Reduced:	BrN2F4H7C11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	-140.18
Dipole, Da:	5.54
IP(EA), eV:	-9.86(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(4-methoxy-1-methylindol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CBr)F)N2C=C(C=N2)C(F)(F)F

DOS

IR

Vibrations