Geometry & MOs

Info

ID:	212895
PubChem CID:	81062166
Reduced:	NSO4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-166.18
Dipole, Da:	5.78
IP(EA), eV:	-9.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(C)O

DOS

IR

Vibrations