Geometry & MOs

Info

ID:	183576
PubChem CID:	77042511
Reduced:	BrO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	6.68
IP(EA), eV:	-9.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CN2CC(C(=O)NC2=O)Br

DOS

IR

Vibrations