Geometry & MOs

Info

ID:	259893
PubChem CID:	103176655
Reduced:	SO5C12H18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-186.21
Dipole, Da:	5.58
IP(EA), eV:	-9.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(3-methoxypropoxy)ethoxy]-1,3-dimethylpyrazol-4-yl]methanamine

Drug info:

PubChemData

Smile

COCCCOCCOCC1=C(SC=C1)C(=O)O

DOS

IR

Vibrations