Geometry & MOs

Info

ID:	410548
PubChem CID:	135083347
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	689.10333
ΔH_f, kcal/mol:	59.62
Dipole, Da:	3.25
IP(EA), eV:	-8.25(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-1-(4-methyl-1,2,4-triazol-3-yl)methanimine oxide;lanthanum(3+);trinitrate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(/C=C\2/C=CC3=CC=CC(=O)C3=N2)O

DOS

IR

Vibrations