Geometry & MOs

Info

ID:	227799
PubChem CID:	87562517
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	377.292994
ΔH_f, kcal/mol:	-124.85
Dipole, Da:	2.22
IP(EA), eV:	-9.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1CCC(=O)O)CC)C=O

DOS

IR

Vibrations