Geometry & MOs

Info

ID:	437554
PubChem CID:	135226542
Reduced:	NO7C30H47 (1)
Stoich.:	AB7C30D47 (1)
Weight, g/mol:	387.240959
ΔH_f, kcal/mol:	-305.22
Dipole, Da:	9.32
IP(EA), eV:	-9.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethoxy)-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)OCCOCCOCCOCCN

DOS

IR

Vibrations