Geometry & MOs

Info

ID:	249615
PubChem CID:	103090857
Reduced:	OF2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	233.060742
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	2.53
IP(EA), eV:	-9.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(6-chloro-1H-indol-3-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(C=C1)C(F)F)/C(=O)C

DOS

IR

Vibrations