Geometry & MOs

Info

ID:	372173
PubChem CID:	131294097
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	413.126323
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	4.24
IP(EA), eV:	-8.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)CN1C=C(C2=C1C=CC=C2O)Br

DOS

IR

Vibrations