Geometry & MOs

Info

ID:	296211
PubChem CID:	117560881
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	212.069811
ΔH_f, kcal/mol:	7.73
Dipole, Da:	6.71
IP(EA), eV:	-9.39(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-2-oxo-1H-pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC(=O)NC(=C2)C#N

DOS

IR

Vibrations