Geometry & MOs

Info

ID:	29230
PubChem CID:	832452
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	344.09277
ΔH_f, kcal/mol:	-124.32
Dipole, Da:	6.58
IP(EA), eV:	-8.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[C@H](C)NC(=O)C)Br)OCC

DOS

IR

Vibrations