Geometry & MOs

Info

ID:	161383
PubChem CID:	57391507
Reduced:	O2N10H12C13 (1)
Stoich.:	A2B10C12D13 (1)
Weight, g/mol:	368.14577
ΔH_f, kcal/mol:	117.52
Dipole, Da:	2.71
IP(EA), eV:	-9.81(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-propan-2-yl-3-[(2R)-1-(tetrazol-2-yl)propan-2-yl]triazino[4,5-g][1,2,3]benzotriazine-4,9-dione

Drug info:

PubChemData

Smile

C[C@H](CN1N=CN=N1)N2C(=O)C3=C(C=C4C(=C3)N=NN(C4=O)C)N=N2

DOS

IR

Vibrations