Geometry & MOs

Info

ID:	173083
PubChem CID:	75593935
Reduced:	SO2N6C15H24 (1)
Stoich.:	AB2C6D15E24 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-13.97
Dipole, Da:	5.6
IP(EA), eV:	-9.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-5H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCNC(=O)C2CCCCC2C(=O)NCC=C

DOS

IR

Vibrations