Geometry & MOs

Info

ID:	280925
PubChem CID:	103851982
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	273.114062
ΔH_f, kcal/mol:	-31.17
Dipole, Da:	3.6
IP(EA), eV:	-8.83(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hex-5-yn-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNCC2=C(C=C(C=C2)OC)F)C

DOS

IR

Vibrations