Geometry & MOs

Info

ID:	183577
PubChem CID:	77042512
Reduced:	ON7C13H19 (1)
Stoich.:	AB7C13D19 (1)
Weight, g/mol:	263.149458
ΔH_f, kcal/mol:	112.26
Dipole, Da:	9.51
IP(EA), eV:	-7.84(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-butan-2-ylpyrazol-3-yl)methyl]-1H-1,2,4-triazol-5-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=N2)CN3C=NC(=C(N)N=O)N3

DOS

IR

Vibrations