Geometry & MOs

Info

ID:	224723
PubChem CID:	85348985
Reduced:	ClNO3C9H16 (1)
Stoich.:	ABC3D9E16 (1)
Weight, g/mol:	222.032621
ΔH_f, kcal/mol:	-136.82
Dipole, Da:	3.88
IP(EA), eV:	-9.68(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-2-methyl-4-thiophen-2-ylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(C(=CCOC)Cl)OC(=O)N(C)C

DOS

IR

Vibrations