Geometry & MOs

Info

ID:	351228
PubChem CID:	127279786
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	3.04
IP(EA), eV:	-9.4(-0.2)
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-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

DOS

IR

Vibrations