Geometry & MOs

Info

ID:	176912
PubChem CID:	76112076
Reduced:	N2O5C19H30 (1)
Stoich.:	A2B5C19D30 (1)
Weight, g/mol:	200.008273
ΔH_f, kcal/mol:	-229.97
Dipole, Da:	6.21
IP(EA), eV:	-10.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-oxo-1,3,4-oxadiazol-2-ylidene)imidazole-4,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCNC(=O)C(=O)NCCC1C2CCC(C1CC=CCCCC(=O)O)O2

DOS

IR

Vibrations