Geometry & MOs

Info

ID:	50843
PubChem CID:	12013432
Reduced:	BrON2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	22.62
Dipole, Da:	9.9
IP(EA), eV:	-8.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-1-methylindol-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=C3C=C(C=C4)Br)C

DOS

IR

Vibrations