Geometry & MOs

Info

ID:	177352
PubChem CID:	76172553
Reduced:	BrN2O4H7C11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	9.46
IP(EA), eV:	-10.0(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-butyl-4-hydroxy-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C(=C(C(=O)N2)[N+](=O)[O-])O)Br

DOS

IR

Vibrations