Geometry & MOs

Info

ID:	35803
PubChem CID:	7980343
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-150.81
Dipole, Da:	2.83
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)COC3=CC=CC=C3)C

DOS

IR

Vibrations