Geometry & MOs

Info

ID:	282798
PubChem CID:	103939472
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	269.179107
ΔH_f, kcal/mol:	17.81
Dipole, Da:	1.45
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-fluoro-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)SC2=CC3=CC=CC=C3N2)O

DOS

IR

Vibrations