Geometry & MOs

Info

ID:	205769
PubChem CID:	80154956
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	307.140614
ΔH_f, kcal/mol:	-50.75
Dipole, Da:	0.68
IP(EA), eV:	-8.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-fluoro-4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1CCCC(C1)OCC2=NC=C(C=C2)CNC(C)C

DOS

IR

Vibrations