Geometry & MOs

Info

ID:	45806
PubChem CID:	10517759
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	2.69
IP(EA), eV:	-8.84(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1=C(C=C(C=C1OC)CCC=C)OC

DOS

IR

Vibrations