Geometry & MOs

Info

ID:	46262
PubChem CID:	10523552
Reduced:	N2O9C15H24 (1)
Stoich.:	A2B9C15D24 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	-412.51
Dipole, Da:	4.42
IP(EA), eV:	-10.21(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E)-6,7-dihydroxy-3,7,11-trimethyldodeca-2,10-dienyl]-4-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCO[C@]2(C(=O)N[C@@]1(C(=O)N2)O)[C@H]([C@](C)(CO)O)O

DOS

IR

Vibrations