Geometry & MOs

Info

ID:	210746
PubChem CID:	80851789
Reduced:	BrON4C10H17 (1)
Stoich.:	ABC4D10E17 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-31.02
Dipole, Da:	4.47
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=NC(=NC=C1Br)N

DOS

IR

Vibrations