Geometry & MOs

Info

ID:	294500
PubChem CID:	117464972
Reduced:	BrNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-76.51
Dipole, Da:	2.77
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol

Drug info:

PubChemData

Smile

CNCCC1=CC2=C(C(=C1OC)Br)OCO2

DOS

IR

Vibrations