Geometry & MOs

Info

ID:	205134
PubChem CID:	80059497
Reduced:	BrFNSH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	261.098749
ΔH_f, kcal/mol:	23.99
Dipole, Da:	2.87
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-fluorophenyl)sulfanylphenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC1NCC2=C(C=C(C=C2)Br)SC3=CC=CC(=C3)F

DOS

IR

Vibrations