Geometry & MOs

Info

ID:	414073
PubChem CID:	135087027
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	2.24
IP(EA), eV:	-8.55(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-1H-indol-2-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2=C(C(N1)C3=CC=CS3)NC4=CC=CC=C24

DOS

IR

Vibrations