Geometry & MOs

Info

ID:	323637
PubChem CID:	126675631
Reduced:	N9H17C19 (1)
Stoich.:	A9B17C19 (1)
Weight, g/mol:	509.206304
ΔH_f, kcal/mol:	206.56
Dipole, Da:	6.74
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations