Geometry & MOs

Info

ID:	282020
PubChem CID:	103914671
Reduced:	SO2N4C10H18 (1)
Stoich.:	AB2C4D10E18 (1)
Weight, g/mol:	223.179696
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	7.4
IP(EA), eV:	-9.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CNC2CCCC2S(=O)(=O)C

DOS

IR

Vibrations