Geometry & MOs

Info

ID:	191042
PubChem CID:	78099494
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	406.271924
ΔH_f, kcal/mol:	-140.93
Dipole, Da:	1.47
IP(EA), eV:	-9.53(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[6-(3-acetyloxyoct-1-enyl)-5-hydroxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate

Drug info:

PubChemData

Smile

COC(=O)CCCCC1=CC2CC(C(C2C1)C=C)O

DOS

IR

Vibrations