Geometry & MOs

Info

ID:	204422
PubChem CID:	79963814
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	2.43
IP(EA), eV:	-8.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

C1CSCC(O1)C(C2=C(C=CN=C2)N)N

DOS

IR

Vibrations