Geometry & MOs

Info

ID:	291907
PubChem CID:	113711237
Reduced:	BrFON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	4.85
IP(EA), eV:	-9.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-bromo-2-(hydroxymethyl)phenyl]-3-methylpyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CNCC1=C(C(=NC=C1)OC2=CC=C(C=C2)Br)F

DOS

IR

Vibrations