Geometry & MOs

Info

ID:	14154
PubChem CID:	405239
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	1.87
IP(EA), eV:	-10.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pent-4-yn-2-ol

Drug info:

PubChemData

Smile

CC(CC#CC1=NC(=NC(=N1)OC)OC)O

DOS

IR

Vibrations