Geometry & MOs

Info

ID:	291310
PubChem CID:	111978578
Reduced:	BrN5C18H24 (1)
Stoich.:	AB5C18D24 (1)
Weight, g/mol:	535.02438
ΔH_f, kcal/mol:	78.28
Dipole, Da:	1.83
IP(EA), eV:	-9.0(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)N2CCC(C2)CC3=CN(N=C3)C

DOS

IR

Vibrations