Geometry & MOs

Info

ID:	18185
PubChem CID:	538795
Reduced:	N3O8C13H15 (1)
Stoich.:	A3B8C13D15 (1)
Weight, g/mol:	341.085914
ΔH_f, kcal/mol:	-180.03
Dipole, Da:	6.67
IP(EA), eV:	-10.23(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations