Geometry & MOs

Info

ID:	19862
PubChem CID:	574345
Reduced:	O3C27H46 (1)
Stoich.:	A3B27C46 (1)
Weight, g/mol:	418.344695
ΔH_f, kcal/mol:	-209.06
Dipole, Da:	3.34
IP(EA), eV:	-9.68(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC(C2CC(=O)O)C3(CCCCC3=O)C)C

DOS

IR

Vibrations