Geometry & MOs

Info

ID:	290693
PubChem CID:	109817105
Reduced:	ON5C20H39 (1)
Stoich.:	AB5C20D39 (1)
Weight, g/mol:	494.01782
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	4.45
IP(EA), eV:	-8.55(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-2-methyl-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC(CC(C)C)N2CCCC2)NCC

DOS

IR

Vibrations