Geometry & MOs

Info

ID:	343804
PubChem CID:	127266980
Reduced:	FOCl2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	8.64
IP(EA), eV:	-9.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-2-[[2-(3-methylpyridin-4-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)CC2=CC(=C(N=C2Cl)Cl)F

DOS

IR

Vibrations