Geometry & MOs

Info

ID:	282024
PubChem CID:	103914675
Reduced:	SO2N4C9H18 (1)
Stoich.:	AB2C4D9E18 (1)
Weight, g/mol:	277.15143
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	8.85
IP(EA), eV:	-9.15(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NCC1=NN(C=N1)C

DOS

IR

Vibrations