Geometry & MOs

Info

ID:	124875
PubChem CID:	50901036
Reduced:	O5C22H34 (1)
Stoich.:	A5B22C34 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-245.73
Dipole, Da:	3.03
IP(EA), eV:	-10.1(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-(phenylmethoxymethyl)-5-propyl-1,3-dioxolan-2-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@H](C[C@@H]2[C@@H]1[C@@]3(CCCC([C@H]3[C@@H](C2=O)O)(C)C)C)C(=C)CO

DOS

IR

Vibrations