Geometry & MOs

Info

ID:	179855
PubChem CID:	76543810
Reduced:	N2O5C12H18 (1)
Stoich.:	A2B5C12D18 (1)
Weight, g/mol:	353.098485
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	3.82
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-nitro-6-(1H-1,2,4-triazol-5-ylamino)pyridin-2-yl]amino]-2,3a-dihydroindazol-3-one

Drug info:

PubChemData

Smile

COC(=O)C=C(CC(=O)N1CCNCC1)C(=O)OC

DOS

IR

Vibrations