Geometry & MOs

Info

ID:	279602
PubChem CID:	103844440
Reduced:	ON5C9H19 (1)
Stoich.:	AB5C9D19 (1)
Weight, g/mol:	298.200491
ΔH_f, kcal/mol:	10.22
Dipole, Da:	7.49
IP(EA), eV:	-9.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1-propylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NN=NN1C)CO

DOS

IR

Vibrations