Geometry & MOs

Info

ID:	404585
PubChem CID:	135067024
Reduced:	NF3O3H8C13 (1)
Stoich.:	AB3C3D8E13 (1)
Weight, g/mol:	310.070205
ΔH_f, kcal/mol:	-221.77
Dipole, Da:	6.82
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,2,4-benzotriazin-3-yl)-5-nitrophenyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)NC2=C(C=C(C=C2O)F)O)F

DOS

IR

Vibrations