Geometry & MOs

Info

ID:	144644
PubChem CID:	53392526
Reduced:	NO3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-38.92
Dipole, Da:	3.88
IP(EA), eV:	-7.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4-methyl-5-phenyl-3-propanoyloxolan-2-one

Drug info:

PubChemData

Smile

CC1CC(=CC2=CC(=C(C=C12)OC)OC)N(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations