Geometry & MOs

Info

ID:	350051
PubChem CID:	127276924
Reduced:	OF2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	10.66
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations