Geometry & MOs

Info

ID:	176900
PubChem CID:	76108144
Reduced:	N2O3F4H4C9 (1)
Stoich.:	A2B3C4D4E9 (1)
Weight, g/mol:	346.139194
ΔH_f, kcal/mol:	-256.2
Dipole, Da:	3.77
IP(EA), eV:	-10.28(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxy-1,1,1-trifluorobutan-2-yl) 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=C2C(=NC(=O)N2)C=C3C1OC(C(O3)(F)F)(F)F

DOS

IR

Vibrations