Geometry & MOs

Info

ID:	302607
PubChem CID:	124385278
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-97.16
Dipole, Da:	3.08
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,12R)-12-hydroxyheptadec-10-en-8-ynoic acid

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)[C@@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations