Geometry & MOs

Info

ID:	10545
PubChem CID:	104028
Reduced:	ON2C4H4 (1)
Stoich.:	AB2C4D4 (1)
Weight, g/mol:	96.032363
ΔH_f, kcal/mol:	9.26
Dipole, Da:	4.2
IP(EA), eV:	-10.23(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C=NC=NC1=O

DOS

IR

Vibrations