Geometry & MOs

Info

ID:	371063
PubChem CID:	127342257
Reduced:	FO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	3.54
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)CNC(=O)N3CCN(CC3)CC4=NC(=NO4)C

DOS

IR

Vibrations