Geometry & MOs

Info

ID:	323810
PubChem CID:	126676229
Reduced:	F3O3N5H10C16 (1)
Stoich.:	A3B3C5D10E16 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-102.19
Dipole, Da:	3.08
IP(EA), eV:	-9.34(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-ditert-butyl-5-[[(E)-3-ethoxyprop-2-enoyl]amino]phenyl] methyl carbonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F)N=O

DOS

IR

Vibrations