Geometry & MOs

Info

ID:	21040
PubChem CID:	586933
Reduced:	ON3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	139.074562
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	9.28
IP(EA), eV:	-9.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(ethylamino)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNC1=CC(=O)N=CN1

DOS

IR

Vibrations