Geometry & MOs

Info

ID:	323603
PubChem CID:	126675560
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	516.217284
ΔH_f, kcal/mol:	85.09
Dipole, Da:	5.91
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[acetyl(fluoromethyl)amino]phenyl]-N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)N2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N

DOS

IR

Vibrations