Geometry & MOs

Info

ID:	349258
PubChem CID:	127275045
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	3.55
Dipole, Da:	2.64
IP(EA), eV:	-8.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCN2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations