Geometry & MOs

Info

ID:	371062
PubChem CID:	127342256
Reduced:	FO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	387.170668
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	5.17
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)CNC(=O)N3CCC(CC3)CN4C=CC=N4

DOS

IR

Vibrations