Geometry & MOs

Info

ID:	246222
PubChem CID:	103050122
Reduced:	ClFNOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	336.96692
ΔH_f, kcal/mol:	-28.9
Dipole, Da:	1.54
IP(EA), eV:	-8.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(5-chloro-2-fluorophenyl)methyl]indole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations