Geometry & MOs

Info

ID:	209591
PubChem CID:	80691258
Reduced:	BrN2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	245.0027
ΔH_f, kcal/mol:	29.72
Dipole, Da:	1.98
IP(EA), eV:	-9.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

Drug info:

PubChemData

Smile

CC(C)N(CCCBr)CC1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations