Geometry & MOs

Info

ID:	159182
PubChem CID:	57264332
Reduced:	NO6C22H29 (1)
Stoich.:	AB6C22D29 (1)
Weight, g/mol:	300.097329
ΔH_f, kcal/mol:	-247.77
Dipole, Da:	4.57
IP(EA), eV:	-9.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(trifluoromethyl)phenoxy]but-3-yn-2-yl butanoate

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C1=CC=C(C=C1)N=CC2C(=O)OC(OC2=O)(C)C

DOS

IR

Vibrations