Geometry & MOs

Info

ID:	364638
PubChem CID:	127315933
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	4.98
IP(EA), eV:	-9.07(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)C2=CN(N=C2C)C

DOS

IR

Vibrations