Geometry & MOs

Info

ID:	395092
PubChem CID:	135024635
Reduced:	NOH33C48 (1)
Stoich.:	ABC33D48 (1)
Weight, g/mol:	328.188589
ΔH_f, kcal/mol:	165.68
Dipole, Da:	3.98
IP(EA), eV:	-8.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-6-(5-methylhexan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CN1C(=O)C2(C3=CC=CC=C3C1(C4=CC5=C(C6=CC=CC=C6C(=C5C=C42)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations