Geometry & MOs

Info

ID:	264697
PubChem CID:	103483657
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	311.00695
ΔH_f, kcal/mol:	-79.6
Dipole, Da:	1.29
IP(EA), eV:	-9.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(6-ethylpyrimidin-4-yl)oxy-4-fluoroaniline

Drug info:

PubChemData

Smile

CC(C)CCOCCN1C=NC2=C(C1=O)CCNC2

DOS

IR

Vibrations