Geometry & MOs

Info

ID:	263328
PubChem CID:	103357676
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-117.92
Dipole, Da:	5.12
IP(EA), eV:	-9.6(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(C2)(C)O)C#CCO

DOS

IR

Vibrations