Geometry & MOs

Info

ID:	216991
PubChem CID:	85087082
Reduced:	O6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	322.141638
ΔH_f, kcal/mol:	-255.42
Dipole, Da:	7.49
IP(EA), eV:	-10.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-2-oxooxolan-3-yl) 2-(2-methoxyphenoxy)butanoate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O)(C)O

DOS

IR

Vibrations