Geometry & MOs

Info

ID:	288830
PubChem CID:	104326553
Reduced:	ClFO2N3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	298.063282
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	3.47
IP(EA), eV:	-8.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-ethoxy-3-fluorophenyl)-6-methoxy-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=C(C(=NC=N2)Cl)C=O)F

DOS

IR

Vibrations