Geometry & MOs

Info

ID:	177633
PubChem CID:	76206507
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-111.59
Dipole, Da:	2.87
IP(EA), eV:	-9.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(=O)NCCOCCO)Cl)Cl

DOS

IR

Vibrations