Geometry & MOs

Info

ID:	367073
PubChem CID:	127323060
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	2.42
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-methyl-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCC(CC3)NC(=O)CC4CCCC4

DOS

IR

Vibrations