Geometry & MOs

Info

ID:	257720
PubChem CID:	103148347
Reduced:	ON2F3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	223.118399
ΔH_f, kcal/mol:	-158.1
Dipole, Da:	2.9
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-3-amine

Drug info:

PubChemData

Smile

CNC(CCOCC(F)(F)F)C1=C2C=CC=NC2=CC=C1

DOS

IR

Vibrations