Geometry & MOs

Info

ID:	17598
PubChem CID:	507093
Reduced:	FON4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	312.138639
ΔH_f, kcal/mol:	-17.09
Dipole, Da:	11.07
IP(EA), eV:	-10.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations