Geometry & MOs

Info

ID:	370743
PubChem CID:	127340102
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	396.17731
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	3.9
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations