Geometry & MOs

Info

ID:	260173
PubChem CID:	103183771
Reduced:	NO3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	281.098726
ΔH_f, kcal/mol:	-131.85
Dipole, Da:	2.64
IP(EA), eV:	-9.02(2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1C(CCO1)(CCOCCCOC)CNC2CC2

DOS

IR

Vibrations