Geometry & MOs

Info

ID:	282019
PubChem CID:	103914670
Reduced:	SO2N4C8H16 (1)
Stoich.:	AB2C4D8E16 (1)
Weight, g/mol:	258.115047
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	7.87
IP(EA), eV:	-9.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations