Geometry & MOs

Info

ID:	173227
PubChem CID:	75611614
Reduced:	O3N8C13H16 (1)
Stoich.:	A3B8C13D16 (1)
Weight, g/mol:	294.118886
ΔH_f, kcal/mol:	85.19
Dipole, Da:	4.06
IP(EA), eV:	-9.31(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]carbamate

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1C(CNN1)[N+](=O)[O-])CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations