Geometry & MOs

Info

ID:	23966
PubChem CID:	607240
Reduced:	NO7C13H15 (1)
Stoich.:	AB7C13D15 (1)
Weight, g/mol:	297.084852
ΔH_f, kcal/mol:	-202.89
Dipole, Da:	4.96
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-hydroxy-4-methoxy-2-(3-nitropropanoyl)phenyl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)CC[N+](=O)[O-])CC(=O)OC)O

DOS

IR

Vibrations