Geometry & MOs

Info

ID:	425702
PubChem CID:	135127489
Reduced:	OF3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	271.151847
ΔH_f, kcal/mol:	-207.21
Dipole, Da:	2.88
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-5-fluoro-4-methyl-6-methylsulfanylhex-5-enyl]-4-propan-2-yltriazole

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)CC(F)(F)F

DOS

IR

Vibrations