Geometry & MOs

Info

ID:	174231
PubChem CID:	75743683
Reduced:	BrN2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	238.184527
ΔH_f, kcal/mol:	16.77
Dipole, Da:	2.03
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(1-ethylpyrrolidin-1-ium-2-yl)methyl-[(4-fluorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1C[NH2+]CC2=CC=C(C=C2)Br

DOS

IR

Vibrations