Geometry & MOs

Info

ID:	43659
PubChem CID:	10321602
Reduced:	N2F3O6H19C21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	452.11928
ΔH_f, kcal/mol:	-357.82
Dipole, Da:	4.0
IP(EA), eV:	-9.45(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2,4-dinitrophenyl)-6-oxo-3,7-dihydro-2H-[1,2,4]triazino[4,5-b][1,2,4]triazin-9-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=C(C=C(C=C1)OC2=CC=C(C=C2)CC3C(=O)NC(=O)O3)C(F)(F)F)N

DOS

IR

Vibrations