Geometry & MOs

Info

ID:	260739
PubChem CID:	103202217
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	8.5
IP(EA), eV:	-9.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyrazin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OCC(C2CC2)(C(=O)N)N)[N+](=O)[O-]

DOS

IR

Vibrations