Geometry & MOs

Info

ID:	227359
PubChem CID:	87561489
Reduced:	ClNO2H10C20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	391.308644
ΔH_f, kcal/mol:	74.0
Dipole, Da:	6.22
IP(EA), eV:	-8.76(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C4=CC=CC5=CC(=C(C(=C54)C3=CC=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations