Geometry & MOs

Info

ID:	291273
PubChem CID:	111978371
Reduced:	BrION3C16H25 (1)
Stoich.:	ABCD3E16F25 (1)
Weight, g/mol:	499.01315
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	3.77
IP(EA), eV:	-9.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)N2CCC(C2)COC.I

DOS

IR

Vibrations