Geometry & MOs

Info

ID:	83933
PubChem CID:	49862630
Reduced:	FSN2O2C20H25 (1)
Stoich.:	ABC2D2E20F25 (1)
Weight, g/mol:	215.085875
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	6.6
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations