Geometry & MOs

Info

ID:	219413
PubChem CID:	85148375
Reduced:	O7C27H44 (1)
Stoich.:	A7B27C44 (1)
Weight, g/mol:	480.308704
ΔH_f, kcal/mol:	-356.51
Dipole, Da:	1.48
IP(EA), eV:	-9.93(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[3-acetyloxy-7-hydroxy-5-(oxan-2-yloxy)heptyl]-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)OCCOC(=O)CCCC)O)O

DOS

IR

Vibrations