Geometry & MOs

Info

ID:	185664
PubChem CID:	77328186
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	446.264433
ΔH_f, kcal/mol:	27.24
Dipole, Da:	5.72
IP(EA), eV:	-9.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;7-[3,5,6-trihydroxy-2-methyl-8-(2-methylpentoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate

Drug info:

PubChemData

Smile

CC=C1C2CC3=NC(=O)C=CC3C1(CC=C2)N

DOS

IR

Vibrations