Geometry & MOs

Info

ID:	248130
PubChem CID:	103079128
Reduced:	ClON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	198.148061
ΔH_f, kcal/mol:	49.45
Dipole, Da:	4.42
IP(EA), eV:	-8.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)propoxy]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=CC=C(C3=CC=CC=C32)Cl)N

DOS

IR

Vibrations