Geometry & MOs

Info

ID:	291312
PubChem CID:	111978580
Reduced:	BrFN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	503.15459
ΔH_f, kcal/mol:	33.01
Dipole, Da:	3.61
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations