Geometry & MOs

Info

ID:	126875
PubChem CID:	50982934
Reduced:	FON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	51.16
Dipole, Da:	6.0
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=NC(=N2)C3CC3)C4=C(C=CC=N4)F

DOS

IR

Vibrations