Geometry & MOs

Info

ID:	370750
PubChem CID:	127340112
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-83.77
Dipole, Da:	3.89
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone

Drug info:

PubChemData

Smile

C1CCCN(C(=O)CC1)CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations