Geometry & MOs

Info

ID:	20393
PubChem CID:	583698
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-154.05
Dipole, Da:	3.62
IP(EA), eV:	-9.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-(3-hydroxy-5-phenylpent-4-en-2-yl)-1,3-dioxin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC(=O)OC(O1)C(C)(C)C)C(C=CC2=CC=CC=C2)O

DOS

IR

Vibrations