Geometry & MOs

Info

ID:	210524
PubChem CID:	80818992
Reduced:	OSN5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	3.52
IP(EA), eV:	-8.6(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)SC)NCCC(=O)NC

DOS

IR

Vibrations