Geometry & MOs

Info

ID:	21260
PubChem CID:	587800
Reduced:	ON8H16C18 (1)
Stoich.:	AB8C16D18 (1)
Weight, g/mol:	360.144707
ΔH_f, kcal/mol:	201.91
Dipole, Da:	1.34
IP(EA), eV:	-8.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-methyl-4-[C-methyl-N-(naphthalen-1-ylmethylideneamino)carbonimidoyl]triazol-1-yl]-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=NON=C2N)C(=NN=CC3=CC=CC4=CC=CC=C43)C

DOS

IR

Vibrations