Geometry & MOs

Info

ID:	69047
PubChem CID:	46516655
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	450.103871
ΔH_f, kcal/mol:	-152.32
Dipole, Da:	7.35
IP(EA), eV:	-8.12(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(=O)N(C)C

DOS

IR

Vibrations