Geometry & MOs

Info

ID:	17599
PubChem CID:	507094
Reduced:	FON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	326.154289
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	11.07
IP(EA), eV:	-9.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations