Geometry & MOs

Info

ID:	261563
PubChem CID:	103240599
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	4.28
IP(EA), eV:	-8.95(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2-phenoxyethoxy)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)CNCC3=CSC(=N3)C(=O)O

DOS

IR

Vibrations