Geometry & MOs

Info

ID:	48471
PubChem CID:	10586075
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	241.085127
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	6.49
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-6-(2-phenylethynyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC)C(=S)CC(=O)O

DOS

IR

Vibrations