Geometry & MOs

Info

ID:	339192
PubChem CID:	127260571
Reduced:	BaN4O6C10H16 (1)
Stoich.:	AB4C6D10E16 (1)
Weight, g/mol:	725.704981
ΔH_f, kcal/mol:	-467.78
Dipole, Da:	3.05
IP(EA), eV:	-6.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-dotetracontyl-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C(CC(C(=O)O)N)CNNC=N[C@@H](CC(=O)[O-])C(=O)[O-].[Ba+2]

DOS

IR

Vibrations