Geometry & MOs

Info

ID:	204367
PubChem CID:	79954751
Reduced:	NOSF3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	206.066697
ΔH_f, kcal/mol:	-157.14
Dipole, Da:	3.47
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)CC(=O)CCC(F)(F)F

DOS

IR

Vibrations