Geometry & MOs

Info

ID:	144165
PubChem CID:	53324540
Reduced:	FON6H15C19 (1)
Stoich.:	ABC6D15E19 (1)
Weight, g/mol:	411.060839
ΔH_f, kcal/mol:	59.49
Dipole, Da:	3.44
IP(EA), eV:	-9.08(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-thiophen-3-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC=C(O2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)F)C(=N)N

DOS

IR

Vibrations