Geometry & MOs

Info

ID:	437558
PubChem CID:	135226546
Reduced:	NO4C25H37 (1)
Stoich.:	AB4C25D37 (1)
Weight, g/mol:	541.315186
ΔH_f, kcal/mol:	-174.31
Dipole, Da:	5.89
IP(EA), eV:	-9.21(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OCCCN

DOS

IR

Vibrations