Geometry & MOs

Info

ID:	201502
PubChem CID:	79547174
Reduced:	SN3O6C8H13 (1)
Stoich.:	AB3C6D8E13 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-203.71
Dipole, Da:	8.54
IP(EA), eV:	-10.82(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diethoxy-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

Drug info:

PubChemData

Smile

COC(CNS(=O)(=O)C1=C(C=NN1)C(=O)O)OC

DOS

IR

Vibrations