Geometry & MOs

Info

ID:	264861
PubChem CID:	103498411
Reduced:	BrFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	335.0321
ΔH_f, kcal/mol:	-41.45
Dipole, Da:	2.87
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C3=C(C=CC(=C3)Br)CO

DOS

IR

Vibrations