Geometry & MOs

Info

ID:	17602
PubChem CID:	507097
Reduced:	FON4H13C18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	320.107339
ΔH_f, kcal/mol:	31.32
Dipole, Da:	10.87
IP(EA), eV:	-10.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-6-(4-fluorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations