Geometry & MOs

Info

ID:	183879
PubChem CID:	77084671
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	5.32
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-yl)-N-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CN1C=CN=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCSCC3

DOS

IR

Vibrations