Geometry & MOs

Info

ID:	210766
PubChem CID:	80852998
Reduced:	BrN7C8H10 (1)
Stoich.:	AB7C8D10 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	109.59
Dipole, Da:	5.19
IP(EA), eV:	-9.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrazine-2,6-diamine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N2C=C(C=N2)Br)N

DOS

IR

Vibrations