Geometry & MOs

Info

ID:	208109
PubChem CID:	80496353
Reduced:	OSN6H10C12 (1)
Stoich.:	ABC6D10E12 (1)
Weight, g/mol:	274.081438
ΔH_f, kcal/mol:	88.74
Dipole, Da:	2.04
IP(EA), eV:	-8.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=NNN=C3)N

DOS

IR

Vibrations