Geometry & MOs

Info

ID:	187413
PubChem CID:	77571380
Reduced:	NF3O6C25H30 (1)
Stoich.:	AB3C6D25E30 (1)
Weight, g/mol:	465.216475
ΔH_f, kcal/mol:	-390.24
Dipole, Da:	9.15
IP(EA), eV:	-9.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-methyl-3-(2-methyl-6-oxo-5-pyrazin-2-yliminopyridin-3-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCC(CC1=CC=C(C=C1)OCC(=O)N(CC)CC2=CC=C(C=C2)OC(F)(F)F)(C(=O)O)OCC

DOS

IR

Vibrations