Geometry & MOs

Info

ID:	176109
PubChem CID:	75998187
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-42.51
Dipole, Da:	7.72
IP(EA), eV:	-9.34(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N=C1C(=C[O-])[N+](=NO1)C2CCCCCC2

DOS

IR

Vibrations