Geometry & MOs

Info

ID:	50842
PubChem CID:	12013431
Reduced:	ON2C24H26 (1)
Stoich.:	AB2C24D26 (1)
Weight, g/mol:	408.08373
ΔH_f, kcal/mol:	8.73
Dipole, Da:	1.77
IP(EA), eV:	-7.95(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-1-methylindol-3-yl)-3-(2-methyl-1H-indol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C(C)CC(=O)C3=C(N(C4=CC=CC=C43)C)C

DOS

IR

Vibrations