Geometry & MOs

Info

ID:	314569
PubChem CID:	126622217
Reduced:	BrFO5N7H27C28 (1)
Stoich.:	ABC5D7E27F28 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	8.61
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-6-methoxy-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=NN3CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F)C(=O)C)OCCO

DOS

IR

Vibrations