Geometry & MOs

Info

ID:	285016
PubChem CID:	104090851
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	240.076199
ΔH_f, kcal/mol:	-20.86
Dipole, Da:	2.33
IP(EA), eV:	-8.9(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(trifluoromethyl)phenyl]hex-5-yn-1-one

Drug info:

PubChemData

Smile

C#CCCCC1(CCCNCC1)O

DOS

IR

Vibrations