Geometry & MOs

Info

ID:	359338
PubChem CID:	127298387
Reduced:	FN3O3C21H30 (1)
Stoich.:	AB3C3D21E30 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-160.5
Dipole, Da:	6.36
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CC(=O)N2CCN(CC2)C)OC3=CC=CC=C3F

DOS

IR

Vibrations