Geometry & MOs

Info

ID:	211054
PubChem CID:	80888996
Reduced:	BrOSN3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	294.12628
ΔH_f, kcal/mol:	-14.71
Dipole, Da:	3.36
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)SC2CCOCC2)Br

DOS

IR

Vibrations