Geometry & MOs

Info

ID:	154059
PubChem CID:	56313444
Reduced:	O2F3N3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	441.139922
ΔH_f, kcal/mol:	-203.83
Dipole, Da:	3.35
IP(EA), eV:	-9.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(ethoxycarbonylamino)phenyl] 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCCOC(C)C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations