Geometry & MOs

Info

ID:	371079
PubChem CID:	127342307
Reduced:	FO4N5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	6.62
IP(EA), eV:	-9.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations