Geometry & MOs

Info

ID:	177890
PubChem CID:	76249585
Reduced:	BrFN2O2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	6.02
IP(EA), eV:	-8.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-(2-morpholin-4-ylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations