Geometry & MOs

Info

ID:	165413
PubChem CID:	74547228
Reduced:	O2N4C27H37 (1)
Stoich.:	A2B4C27D37 (1)
Weight, g/mol:	279.084178
ΔH_f, kcal/mol:	-28.17
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753998
Charge, e:	-1

Chem-info

IUPAC name:

6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-5-oxo-1,2,4-triazinan-3-olate

Drug info:

PubChemData

Smile

CN(CCN1CCC2=CC=CC=C2C1)C(=O)CC3C(=O)NCC[NH+]3CCCC4=CC=CC=C4

DOS

IR

Vibrations