Geometry & MOs

Info

ID:	437559
PubChem CID:	135226547
Reduced:	N3O6C30H43 (1)
Stoich.:	A3B6C30D43 (1)
Weight, g/mol:	555.330836
ΔH_f, kcal/mol:	-204.01
Dipole, Da:	10.06
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[(1-ethyltriazol-4-yl)methoxy]ethoxy]ethoxy]-2-hydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OCCOCCOCC3=CN(N=N3)C

DOS

IR

Vibrations