Geometry & MOs

Info

ID:	197205
PubChem CID:	78938024
Reduced:	BrOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	254.179442
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	5.77
IP(EA), eV:	-8.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[2-(diethylamino)ethoxy]-6-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C)Br)N

DOS

IR

Vibrations