Geometry & MOs

Info

ID:	297041
PubChem CID:	117606769
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	320.162374
ΔH_f, kcal/mol:	-116.46
Dipole, Da:	2.59
IP(EA), eV:	-9.15(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[(5R)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC1(OC[C@H](C(O1)C2=CC=CC=C2O)CC=C)C

DOS

IR

Vibrations