Geometry & MOs

Info

ID:	17604
PubChem CID:	507111
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	6.22
Dipole, Da:	12.13
IP(EA), eV:	-9.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylphenyl)-2-(octylamino)-4-oxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCNC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C)C#N

DOS

IR

Vibrations