Geometry & MOs

Info

ID:	351223
PubChem CID:	127279781
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	3.91
Dipole, Da:	7.38
IP(EA), eV:	-8.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations