Geometry & MOs

Info

ID:	291303
PubChem CID:	111978559
Reduced:	BrION3C16H25 (1)
Stoich.:	ABCD3E16F25 (1)
Weight, g/mol:	467.14336
ΔH_f, kcal/mol:	-16.15
Dipole, Da:	4.54
IP(EA), eV:	-9.19(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethoxymethyl)-N-ethyl-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCOCC1CCN(C1)C(=NC)NCC2=CC=C(C=C2)Br.I

DOS

IR

Vibrations