Geometry & MOs

Info

ID:	267798
PubChem CID:	103589409
Reduced:	BrN2O5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	323.9858
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	6.95
IP(EA), eV:	-9.95(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCCNC(CCOC1=CC(=CC(=C1)[N+](=O)[O-])Br)C(=O)O

DOS

IR

Vibrations