Geometry & MOs

Info

ID:	323606
PubChem CID:	126675570
Reduced:	N9C19H25 (1)
Stoich.:	A9B19C25 (1)
Weight, g/mol:	523.191877
ΔH_f, kcal/mol:	119.11
Dipole, Da:	3.08
IP(EA), eV:	-8.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(1,2-dihydroxyethyl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations