Geometry & MOs

Info

ID:	257567
PubChem CID:	103147140
Reduced:	F2O2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	275.144533
ΔH_f, kcal/mol:	-209.72
Dipole, Da:	2.91
IP(EA), eV:	-10.16(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)CCOCC(F)F

DOS

IR

Vibrations