Geometry & MOs

Info

ID:	14155
PubChem CID:	405240
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	3.06
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,6-bis(4-methoxyphenoxy)-1,3,5-triazin-2-yl]-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=NC(=N1)OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC)O

DOS

IR

Vibrations