Geometry & MOs

Info

ID:	302611
PubChem CID:	124385294
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	62.9
Dipole, Da:	2.99
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S)-15-hydroxyicosa-11,13-diynoic acid

Drug info:

PubChemData

Smile

CCCC[C@H](CC)CN=C(NC#N)NC1=CN=CC=C1

DOS

IR

Vibrations