Geometry & MOs

Info

ID:	227294
PubChem CID:	87561105
Reduced:	Cl2N4O5H24C25 (1)
Stoich.:	A2B4C5D24E25 (1)
Weight, g/mol:	205.99424
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	5.45
IP(EA), eV:	-9.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-bromoprop-2-enyl]-1,3-dioxane

Drug info:

PubChemData

Smile

C#CCN1C(C(=O)N(CC1=O)CCC2=C(C=C(C=C2)Cl)Cl)CC(=O)NCCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations