Geometry & MOs

Info

ID:	177630
PubChem CID:	76206504
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	3.19
IP(EA), eV:	-9.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations