Geometry & MOs

Info

ID:	368084
PubChem CID:	127327289
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	7.26
IP(EA), eV:	-8.88(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)C3CCCN3C(=O)CC4=CC=CS4

DOS

IR

Vibrations