Geometry & MOs

Info

ID:	291289
PubChem CID:	111978481
Reduced:	BrIN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	476.14369
ΔH_f, kcal/mol:	68.29
Dipole, Da:	4.05
IP(EA), eV:	-8.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dihydropyrrol-1-yl)-N-ethyl-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)N2CCC(C2)N3CC=CC3.I

DOS

IR

Vibrations