Geometry & MOs

Info

ID:	50840
PubChem CID:	12013429
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	316.157563
ΔH_f, kcal/mol:	20.21
Dipole, Da:	4.75
IP(EA), eV:	-8.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(C)CC(=O)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations