Geometry & MOs

Info

ID:	177632
PubChem CID:	76206506
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	303.042899
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	1.49
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)NCCOCCO)Br

DOS

IR

Vibrations