Geometry & MOs

Info

ID:	279582
PubChem CID:	103844389
Reduced:	ClON2F3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	-211.48
Dipole, Da:	4.74
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C=N1)C(F)(F)F)Cl)CO

DOS

IR

Vibrations