Geometry & MOs

Info

ID:	273124
PubChem CID:	103770537
Reduced:	BrClNF2O2H9C10 (1)
Stoich.:	ABCD2E2F9G10 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	5.15
IP(EA), eV:	-10.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations