Geometry & MOs

Info

ID:	291961
PubChem CID:	113992265
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	325.98215
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	2.31
IP(EA), eV:	-9.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-chloropyrazine

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)OC2=CC=C(C=C2)CCO

DOS

IR

Vibrations