Geometry & MOs

Info

ID:	291231
PubChem CID:	111978222
Reduced:	OSN4C24H32 (1)
Stoich.:	ABC4D24E32 (1)
Weight, g/mol:	538.04404
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	2.95
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NC3CCC(CC3)C(=O)N4CCSCC4

DOS

IR

Vibrations