Geometry & MOs

Info

ID:	229080
PubChem CID:	87566910
Reduced:	F3O3N5H14C16 (1)
Stoich.:	A3B3C5D14E16 (1)
Weight, g/mol:	468.251189
ΔH_f, kcal/mol:	-190.92
Dipole, Da:	8.19
IP(EA), eV:	-8.44(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-tert-butylbicyclo[2.2.1]hept-5-ene-2-carbonyl) (Z)-but-2-enedioate

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C/C(=C\3/C=CC=CC3=O)/N2)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations