Geometry & MOs

Info

ID:	221385
PubChem CID:	85272339
Reduced:	ClN2O3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	232.123008
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	1.45
IP(EA), eV:	-10.37(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloropent-3-enyl)-2,2,5-trimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCC1C(N(C(=O)NC1=O)COCC)Cl

DOS

IR

Vibrations