Geometry & MOs

Info

ID:	183579
PubChem CID:	77042514
Reduced:	ON7C12H19 (1)
Stoich.:	AB7C12D19 (1)
Weight, g/mol:	275.149458
ΔH_f, kcal/mol:	107.65
Dipole, Da:	9.35
IP(EA), eV:	-7.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CN2C=NC(=C(N)N=O)N2

DOS

IR

Vibrations