Geometry & MOs

Info

ID:	183634
PubChem CID:	77047098
Reduced:	OF2N3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	341.02627
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	6.65
IP(EA), eV:	-9.73(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-bromofuran-2-yl)prop-2-enoyl]azepane-2-carboxylic acid

Drug info:

PubChemData

Smile

C=C1C(=NC(=NC1=O)CC2=C(C=C(C=C2)F)F)N

DOS

IR

Vibrations