Geometry & MOs

Info

ID:	257562
PubChem CID:	103147080
Reduced:	FOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	233.097583
ΔH_f, kcal/mol:	-190.81
Dipole, Da:	4.51
IP(EA), eV:	-9.03(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CC(=O)CCOCC(F)F

DOS

IR

Vibrations