Geometry & MOs

Info

ID:	177631
PubChem CID:	76206505
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-103.13
Dipole, Da:	4.3
IP(EA), eV:	-9.46(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C=CC(=O)NCCOCCO)Br

DOS

IR

Vibrations