Geometry & MOs

Info

ID:	209592
PubChem CID:	80691467
Reduced:	BrNF3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	331.18746
ΔH_f, kcal/mol:	-173.62
Dipole, Da:	2.58
IP(EA), eV:	-9.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-1-dodecylpyrrolidine

Drug info:

PubChemData

Smile

C1CN(CC1CBr)CC(F)(F)F

DOS

IR

Vibrations