Geometry & MOs

Info

ID:	210953
PubChem CID:	80876263
Reduced:	FOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	278.093439
ΔH_f, kcal/mol:	-23.76
Dipole, Da:	4.3
IP(EA), eV:	-8.69(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methoxy]-4-N-ethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)SC)OCC2=CC=CC=C2F

DOS

IR

Vibrations