Geometry & MOs

Info

ID:	410285
PubChem CID:	135083076
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	6.07
IP(EA), eV:	-9.49(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-4-benzyl-2,2-dimethyl-6-prop-2-enyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C(C)C)C=CC(=O)C2=O

DOS

IR

Vibrations