Geometry & MOs

Info

ID:	149456
PubChem CID:	53789129
Reduced:	Br2C3H4 (2)
Stoich.:	A2B3C4 (2)
Weight, g/mol:	377.162708
ΔH_f, kcal/mol:	-14.36
Dipole, Da:	4.22
IP(EA), eV:	-10.34(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-yl)-4-nitroso-2-(2-phenylethyl)butanoic acid

Drug info:

PubChemData

Smile

C1CC(C(C(C1)Br)(Br)Br)Br

DOS

IR

Vibrations