Geometry & MOs

Info

ID:	445296
PubChem CID:	135265923
Reduced:	NSCl2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	340.224974
ΔH_f, kcal/mol:	28.76
Dipole, Da:	3.02
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,4-dimethyloxolan-2-yl)but-1-en-2-yloxy]butyl 4-oxopentanoate

Drug info:

PubChemData

Smile

CCCC(=C)C1=NC(=C(S1)C2=C(C(=C(C=C2)C(C)(C)CC)Cl)Cl)C=C

DOS

IR

Vibrations