Geometry & MOs

Info

ID:	50841
PubChem CID:	12013430
Reduced:	ON2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	358.204513
ΔH_f, kcal/mol:	21.58
Dipole, Da:	7.27
IP(EA), eV:	-8.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(1,2-dimethylindol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(C)CC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations