Geometry & MOs

Info

ID:	213038
PubChem CID:	81062601
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	282.099587
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	10.12
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2-ethoxyethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=NN=C(N1C(C)C)SCC(=O)O

DOS

IR

Vibrations