Geometry & MOs

Info

ID:	198030
PubChem CID:	79033745
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	5.37
IP(EA), eV:	-9.09(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(ethylamino)pyrazin-2-yl]amino]propane-1,3-diol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(CO)CO

DOS

IR

Vibrations