Geometry & MOs

Info

ID:	351361
PubChem CID:	127280249
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	56.68
Dipole, Da:	3.68
IP(EA), eV:	-9.57(-1.22)
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]-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=CN=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations