Geometry & MOs

Info

ID:	282018
PubChem CID:	103914669
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	232.099397
ΔH_f, kcal/mol:	-42.38
Dipole, Da:	6.02
IP(EA), eV:	-9.2(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CNC2CCCS(=O)(=O)C2

DOS

IR

Vibrations