Geometry & MOs

Info

ID:	227360
PubChem CID:	87561493
Reduced:	NO3C24H41 (1)
Stoich.:	AB3C24D41 (1)
Weight, g/mol:	391.308644
ΔH_f, kcal/mol:	-126.0
Dipole, Da:	2.57
IP(EA), eV:	-9.48(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)[O-].[NH4+]

DOS

IR

Vibrations