Geometry & MOs

Info

ID:	323666
PubChem CID:	126675693
Reduced:	N8C17H22 (1)
Stoich.:	A8B17C22 (1)
Weight, g/mol:	493.159076
ΔH_f, kcal/mol:	111.17
Dipole, Da:	5.98
IP(EA), eV:	-8.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[1-[[(1-cyanocyclopropyl)amino]methyl]cyclohexyl]-6-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CN2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N)CN

DOS

IR

Vibrations