Geometry & MOs

Info

ID:	154113
PubChem CID:	56313502
Reduced:	ClF3N3O3C23H25 (1)
Stoich.:	AB3C3D3E23F25 (1)
Weight, g/mol:	478.207942
ΔH_f, kcal/mol:	-256.22
Dipole, Da:	5.68
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C1=CC=C(C=C1)C(F)(F)F)N2CCOCC2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations