Geometry & MOs

Info

ID:	318462
PubChem CID:	126651439
Reduced:	N6H14C19 (1)
Stoich.:	A6B14C19 (1)
Weight, g/mol:	360.23006
ΔH_f, kcal/mol:	171.27
Dipole, Da:	3.7
IP(EA), eV:	-8.9(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,7Z,11E,13E,17S)-10,17-dihydroxydocosa-2,4,7,9,11,13-hexaenoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)N4C=CC5=C4C=CN=C5

DOS

IR

Vibrations