Geometry & MOs

Info

ID:	246244
PubChem CID:	103058868
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	417.90992
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	1.91
IP(EA), eV:	-8.51(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,6-dibromo-4-nitrophenoxy)methyl]-N-methylpyrazin-2-amine

Drug info:

PubChemData

Smile

CCC(CC)N(C)CC1COCCC1N

DOS

IR

Vibrations