Geometry & MOs

Info

ID:	437557
PubChem CID:	135226545
Reduced:	NO4C24H35 (1)
Stoich.:	AB4C24D35 (1)
Weight, g/mol:	415.272259
ΔH_f, kcal/mol:	-182.0
Dipole, Da:	8.92
IP(EA), eV:	-9.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminopropoxy)-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)OCCN

DOS

IR

Vibrations