Geometry & MOs

Info

ID:	246365
PubChem CID:	103059397
Reduced:	ClFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	1.23
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromo-3-methylphenoxy)methyl]-N-ethylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)OCC2=CN=C(C=N2)N)F

DOS

IR

Vibrations