Geometry & MOs

Info

ID:	136425
PubChem CID:	52040112
Reduced:	Cl2O2N5H17C22 (1)
Stoich.:	A2B2C5D17E22 (1)
Weight, g/mol:	293.132826
ΔH_f, kcal/mol:	31.35
Dipole, Da:	4.59
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-N-(4-fluorophenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC(=NC=N2)OC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)Cl)Cl)C

DOS

IR

Vibrations