Geometry & MOs

Info

ID:	176108
PubChem CID:	75998186
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	4.95
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetylimino-3-cycloheptyloxadiazol-3-ium-4-ylidene)methanolate

Drug info:

PubChemData

Smile

CC(=NC1=C([N+](=NO1)N2CCOCC2)C(C3CC3)O)[O-]

DOS

IR

Vibrations