Geometry & MOs

Info

ID:	25605
PubChem CID:	627068
Reduced:	SO3C20H26 (1)
Stoich.:	AB3C20D26 (1)
Weight, g/mol:	300.08341
ΔH_f, kcal/mol:	-133.61
Dipole, Da:	5.44
IP(EA), eV:	-9.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2(C(=O)CC4(C3CCC4=O)C)SC

DOS

IR

Vibrations