Geometry & MOs

Info

ID:	361580
PubChem CID:	127303846
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	10.22
IP(EA), eV:	-9.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)N3CCCC(C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations