Geometry & MOs

Info

ID:	195487
PubChem CID:	78693829
Reduced:	N2F3O5C17H19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	407.134443
ΔH_f, kcal/mol:	-351.1
Dipole, Da:	3.8
IP(EA), eV:	-9.71(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-[4-(trifluoromethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCNC(=O)CNC(=O)COC(=O)C=CC1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations