Geometry & MOs

Info

ID:	351229
PubChem CID:	127279787
Reduced:	ON3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	364.168145
ΔH_f, kcal/mol:	16.31
Dipole, Da:	7.23
IP(EA), eV:	-9.46(-0.48)
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-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)CCN3C=CN=N3

DOS

IR

Vibrations