Geometry & MOs

Info

ID:	291307
PubChem CID:	111978571
Reduced:	BrIO2N4C21H28 (1)
Stoich.:	ABC2D4E21F28 (1)
Weight, g/mol:	531.04946
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	3.95
IP(EA), eV:	-8.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-bromophenyl)methyl]-N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCN(C2)C3=CC(=CC(=C3)OC)OC.I

DOS

IR

Vibrations