Geometry & MOs

Info

ID:	227398
PubChem CID:	87561640
Reduced:	ClN4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	396.264039
ΔH_f, kcal/mol:	34.97
Dipole, Da:	5.89
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoxy]butanoate

Drug info:

PubChemData

Smile

CN1CCCN(C2=NC(=NC=C21)Cl)C3CCCC3

DOS

IR

Vibrations