Geometry & MOs

Info

ID:	260927
PubChem CID:	103209846
Reduced:	ClINO4C13H13 (1)
Stoich.:	ABCD4E13F13 (1)
Weight, g/mol:	307.048999
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	3.77
IP(EA), eV:	-9.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1C(=O)C2=CC(=C(C=C2)I)Cl)O

DOS

IR

Vibrations