Geometry & MOs

Info

ID:	294908
PubChem CID:	117504497
Reduced:	BrFNO4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	-180.46
Dipole, Da:	6.2
IP(EA), eV:	-9.47(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-bromo-3-methoxynaphthalen-2-yl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

C1COC2=C(C(=C(C=C2O1)Br)F)CC(C(=O)O)N

DOS

IR

Vibrations