Geometry & MOs

Info

ID:	319878
PubChem CID:	126657445
Reduced:	ClN2O10C48H61 (1)
Stoich.:	AB2C10D48E61 (1)
Weight, g/mol:	204.136159
ΔH_f, kcal/mol:	-433.59
Dipole, Da:	6.07
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-3-methylnonanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CCC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)CCC(=O)NCCOC(=O)CC4=C(N(C5=C4C=C(C=C5)OC)C(C6=CC=C(C=C6)Cl)O)C

DOS

IR

Vibrations