Geometry & MOs

Info

ID:	312599
PubChem CID:	126606747
Reduced:	IO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	388.251464
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	2.83
IP(EA), eV:	-8.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E)-1-(1,3,3,3a-tetramethyl-4H-indol-2-ylidene)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(O)(OC)I

DOS

IR

Vibrations