Geometry & MOs

Info

ID:	151426
PubChem CID:	53801260
Reduced:	N2O2H36C39 (1)
Stoich.:	A2B2C36D39 (1)
Weight, g/mol:	170.09185
ΔH_f, kcal/mol:	53.21
Dipole, Da:	6.64
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethoxy)hexane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)C=C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations