Geometry & MOs

Info

ID:	22300
PubChem CID:	596561
Reduced:	O5C29H44 (1)
Stoich.:	A5B29C44 (1)
Weight, g/mol:	472.318875
ΔH_f, kcal/mol:	-247.51
Dipole, Da:	5.14
IP(EA), eV:	-8.68(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethoxy-3-methylphenyl)-1-[2-(4-hydroxy-4-methylpentanoyl)-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)CC=C(C)CC(=O)CC2(CCCC2(C)C(=O)CCC(C)(C)O)C)OC

DOS

IR

Vibrations