Geometry & MOs

Info

ID:	161382
PubChem CID:	57391502
Reduced:	OF3N3H28C29 (1)
Stoich.:	AB3C3D28E29 (1)
Weight, g/mol:	340.11447
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	5.5
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1CC2(CCN(CC2)CC3=CC4=C(C=C3)NC5=C4C=C(C=C5)C(F)(F)F)C6=CC=CC=C16

DOS

IR

Vibrations