Geometry & MOs

Info

ID:	284911
PubChem CID:	104082424
Reduced:	IN2O5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	5.37
IP(EA), eV:	-10.37(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(oxolan-3-yloxy)hexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)OC1=C(C=C(C=C1I)C#N)[N+](=O)[O-]

DOS

IR

Vibrations