Geometry & MOs

Info

ID:	126597
PubChem CID:	50969276
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	314.221895
ΔH_f, kcal/mol:	-122.01
Dipole, Da:	4.37
IP(EA), eV:	-8.96(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C[C@H](C[C@H]1C(=O)OC)NC(=O)CCCC2=CC=CS2

DOS

IR

Vibrations