Geometry & MOs

Info

ID:	296208
PubChem CID:	117560795
Reduced:	N2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	228.081124
ΔH_f, kcal/mol:	70.33
Dipole, Da:	5.24
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluoroanilino)-2-methylpyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC2=NC(=NC(=C2)C#N)C

DOS

IR

Vibrations