Geometry & MOs

Info

ID:	388731
PubChem CID:	134990014
Reduced:	N3O3C4H6 (1)
Stoich.:	A3B3C4D6 (1)
Weight, g/mol:	197.070145
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	8.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809089
Charge, e:	0

Chem-info

IUPAC name:

pyrido[3,2-f][1,2,4]benzotriazin-2-amine

Drug info:

PubChemData

Smile

C1=C(C([NH+]=CN1)O)[N+](=O)[O-]

DOS

IR

Vibrations