Geometry & MOs

Info

ID:	53309
PubChem CID:	14710282
Reduced:	ClO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-150.22
Dipole, Da:	4.8
IP(EA), eV:	-9.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hexyl-3-methyl-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(OC1=O)C=C)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations