Geometry & MOs

Info

ID:	27888
PubChem CID:	824038
Reduced:	ClF2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	338.153147
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	2.22
IP(EA), eV:	-8.75(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(3-aminophenyl)-2-phenylpyrimidin-4-yl]aniline

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NN2C(=C1)C(F)(F)Cl)C)C3=CC=CC=C3

DOS

IR

Vibrations