Geometry & MOs

Info

ID:	296212
PubChem CID:	117560882
Reduced:	ON4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	50.0
Dipole, Da:	4.39
IP(EA), eV:	-9.14(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=O)NC(=C2)C#N

DOS

IR

Vibrations