Geometry & MOs

Info

ID:	405472
PubChem CID:	135074086
Reduced:	NC4O4H7 (1)
Stoich.:	AB4C4D7 (1)
Weight, g/mol:	293.053552
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	3.45
IP(EA), eV:	-10.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(7-methoxy-5-nitro-1-benzofuran-2-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C(C[N+](=O)[O-])[C@H](C=O)O

DOS

IR

Vibrations