Geometry & MOs

Info

ID:	181874
PubChem CID:	76807867
Reduced:	NaN2O4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	202.123189
ΔH_f, kcal/mol:	-141.06
Dipole, Da:	11.82
IP(EA), eV:	-9.01(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

penta-1,3-dienyl(phenacyl)azanium

Drug info:

PubChemData

Smile

C1CNCCC1=C2C=CC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CC=C4)C(=O)[O-].[Na+]

DOS

IR

Vibrations