Geometry & MOs

Info

ID:	257528
PubChem CID:	103146818
Reduced:	O2F3N3C11H16 (1)
Stoich.:	A2B3C3D11E16 (1)
Weight, g/mol:	250.092912
ΔH_f, kcal/mol:	-213.49
Dipole, Da:	1.01
IP(EA), eV:	-10.02(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylimidazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations