Geometry & MOs

Info

ID:	183093
PubChem CID:	76978108
Reduced:	O2N5C7H13 (1)
Stoich.:	A2B5C7D13 (1)
Weight, g/mol:	269.102508
ΔH_f, kcal/mol:	37.02
Dipole, Da:	7.86
IP(EA), eV:	-7.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphthalazin-1-yl)-1H-1,2,4-triazol-5-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CCOCCN1C=NC(=C(N)N=O)N1

DOS

IR

Vibrations