Geometry & MOs

Info

ID:	248098
PubChem CID:	103078919
Reduced:	N3C5H8 (2)
Stoich.:	A3B5C8 (2)
Weight, g/mol:	226.125218
ΔH_f, kcal/mol:	69.49
Dipole, Da:	5.34
IP(EA), eV:	-7.9(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylthiomorpholin-4-yl)-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCCC2=NC=CN2)N

DOS

IR

Vibrations