Geometry & MOs

Info

ID:	226538
PubChem CID:	87457845
Reduced:	N2O3F6C18H24 (1)
Stoich.:	A2B3C6D18E24 (1)
Weight, g/mol:	522.395411
ΔH_f, kcal/mol:	-452.27
Dipole, Da:	7.34
IP(EA), eV:	-9.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-hydroxy-3-methyltridecan-3-yl)oxy-3-methyltridecyl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)C(=O)N(CC)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations