Geometry & MOs

Info

ID:	255305
PubChem CID:	103131259
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	257.10204
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	5.44
IP(EA), eV:	-9.48(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2CCS(=O)(=O)C2)N

DOS

IR

Vibrations