Geometry & MOs

Info

ID:	287194
PubChem CID:	104233955
Reduced:	NOF2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-273.44
Dipole, Da:	2.16
IP(EA), eV:	-9.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynoxy-3-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC(=O)NCC(F)(F)F)F)N

DOS

IR

Vibrations