Geometry & MOs

Info

ID:	361664
PubChem CID:	127303996
Reduced:	OSN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	29.43
Dipole, Da:	6.24
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations