Geometry & MOs

Info

ID:	263954
PubChem CID:	103409709
Reduced:	ClNO2F3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-238.72
Dipole, Da:	5.25
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyethoxy)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

COCCOCCCNC1=CC(=CC(=C1)C(F)(F)F)Cl

DOS

IR

Vibrations