Geometry & MOs

Info

ID:	145673
PubChem CID:	53569547
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	323.102766
ΔH_f, kcal/mol:	30.9
Dipole, Da:	6.31
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC1=NN=C2N1CCN(C2)CC(=O)N(C)CC3=CC=CS3

DOS

IR

Vibrations