Geometry & MOs

Info

ID:	406701
PubChem CID:	135078386
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	310.04298
ΔH_f, kcal/mol:	16.03
Dipole, Da:	2.95
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-5-butyl-4-(iodomethyl)-3,3-dimethyloxolan-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1N=CC(=C3)CO

DOS

IR

Vibrations