Geometry & MOs

Info

ID:	126106
PubChem CID:	50951897
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	213.147727
ΔH_f, kcal/mol:	38.69
Dipole, Da:	1.71
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N2C(=NC(=N2)CCC3=CC=CC=C3)C4CCOCC4

DOS

IR

Vibrations