Geometry & MOs

Info

ID:	291291
PubChem CID:	111978488
Reduced:	BrFN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	334.215747
ΔH_f, kcal/mol:	16.7
Dipole, Da:	4.11
IP(EA), eV:	-8.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)N2CCC(C2)N3CC=CC3

DOS

IR

Vibrations