Geometry & MOs

Info

ID:	338499
PubChem CID:	127259191
Reduced:	N3O6C8H9 (1)
Stoich.:	A3B6C8D9 (1)
Weight, g/mol:	253.06987
ΔH_f, kcal/mol:	-127.27
Dipole, Da:	2.11
IP(EA), eV:	-10.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(6-methyl-3-nitropyridin-2-yl)amino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCOC1=NC=NC(=C1[N+](=O)[O-])OC

DOS

IR

Vibrations