Geometry & MOs

Info

ID:	42026
PubChem CID:	8148190
Reduced:	FOSN3C21H26 (1)
Stoich.:	ABCD3E21F26 (1)
Weight, g/mol:	306.243304
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	3.07
IP(EA), eV:	-8.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-[(1S,2R)-2-methylcyclohexyl]azanium

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN(C)CC3=CC=C(C=C3)F)C

DOS

IR

Vibrations