Geometry & MOs

Info

ID:	13473
PubChem CID:	235105
Reduced:	O2N3H7C11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	213.053826
ΔH_f, kcal/mol:	-8.69
Dipole, Da:	6.89
IP(EA), eV:	-10.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-1-phenylpyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=O)NC2=O)C#N

DOS

IR

Vibrations