Geometry & MOs

Info

ID:	426991
PubChem CID:	135154900
Reduced:	ClON6H15C16 (1)
Stoich.:	ABC6D15E16 (1)
Weight, g/mol:	317.994042
ΔH_f, kcal/mol:	66.0
Dipole, Da:	2.89
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(trifluoromethoxy)phenyl]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)Cl)N3C=C(C=N3)C=O)NC

DOS

IR

Vibrations