Geometry & MOs

Info

ID:	50839
PubChem CID:	12013428
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	330.173213
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	3.63
IP(EA), eV:	-9.0(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindol-3-yl)-3-(2-methyl-1H-indol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1/C=C/C(=O)OC

DOS

IR

Vibrations