Geometry & MOs

Info

ID:	233579
PubChem CID:	91145498
Reduced:	ClN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	256.203845
ΔH_f, kcal/mol:	-50.0
Dipole, Da:	4.08
IP(EA), eV:	-8.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane

Drug info:

PubChemData

Smile

CCCC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)O)Cl.CNC

DOS

IR

Vibrations